[4-[[3-(hydroxymethyl)cyclobutyl]amino]-2-(1-methylimidazol-2-yl)-5-phenylthieno[2,3-d]pyrimidin-6-yl]-morpholin-4-ylmethanone

C26H28N6O3S — CID 167390132

IUPAC[4-[[3-(hydroxymethyl)cyclobutyl]amino]-2-(1-methylimidazol-2-yl)-5-phenylthieno[2,3-d]pyrimidin-6-yl]-morpholin-4-ylmethanone
SMILESCn1ccnc1-c1nc(NC2CC(CO)C2)c2c(-c3ccccc3)c(C(=O)N3CCOCC3)sc2n1
InChIInChI=1S/C26H28N6O3S/c1-31-8-7-27-24(31)23-29-22(28-18-13-16(14-18)15-33)20-19(17-5-3-2-4-6-17)21(36-25(20)30-23)26(34)32-9-11-35-12-10-32/h2-8,16,18,33H,9-15H2,1H3,(H,28,29,30)
InChIKeyZMZXCKTUINTSIY-UHFFFAOYSA-N
MW504.62 g/mol
LogP3.41
Rot. Bonds6

About [4-[[3-(hydroxymethyl)cyclobutyl]amino]-2-(1-methylimidazol-2-yl)-5-phenylthieno[2,3-d]pyrimidin-6-yl]-morpholin-4-ylmethanone

[4-[[3-(hydroxymethyl)cyclobutyl]amino]-2-(1-methylimidazol-2-yl)-5-phenylthieno[2,3-d]pyrimidin-6-yl]-morpholin-4-ylmethanone (PubChem CID 167390132) has the molecular formula C26H28N6O3S and a molecular weight of 504.62 g/mol. Its IUPAC name is [4-[[3-(hydroxymethyl)cyclobutyl]amino]-2-(1-methylimidazol-2-yl)-5-phenylthieno[2,3-d]pyrimidin-6-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-[[3-(hydroxymethyl)cyclobutyl]amino]-2-(1-methylimidazol-2-yl)-5-phenylthieno[2,3-d]pyrimidin-6-yl]-morpholin-4-ylmethanone
PubChem CID167390132
Molecular FormulaC26H28N6O3S
Molecular Weight504.62 g/mol
Exact Mass504.19
IUPAC Name[4-[[3-(hydroxymethyl)cyclobutyl]amino]-2-(1-methylimidazol-2-yl)-5-phenylthieno[2,3-d]pyrimidin-6-yl]-morpholin-4-ylmethanone
SMILESCn1ccnc1-c1nc(NC2CC(CO)C2)c2c(-c3ccccc3)c(C(=O)N3CCOCC3)sc2n1
InChIInChI=1S/C26H28N6O3S/c1-31-8-7-27-24(31)23-29-22(28-18-13-16(14-18)15-33)20-19(17-5-3-2-4-6-17)21(36-25(20)30-23)26(34)32-9-11-35-12-10-32/h2-8,16,18,33H,9-15H2,1H3,(H,28,29,30)
InChIKeyZMZXCKTUINTSIY-UHFFFAOYSA-N
XLogP3.41
TPSA105.40 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.62
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze [4-[[3-(hydroxymethyl)cyclobutyl]amino]-2-(1-methylimidazol-2-yl)-5-phenylthieno[2,3-d]pyrimidin-6-yl]-morpholin-4-ylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-[[6-[3-fluoro-2-(hydroxymethyl)phenyl]-2-(1-methylimidazol-2-yl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]amino]cyclopentyl]methanol
CID 167390274
2-[[2-(1-methylimidazol-2-yl)-5,6-diphenylthieno[2,3-d]pyrimidin-4-yl]amino]propan-1-ol
CID 137429490
6-(2-fluoro-3-methoxyphenyl)-N-[(1R,3R)-3-methoxycyclopentyl]-2-(1-methylimidazol-2-yl)-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 164601244
[3-[[6-[(Z)-1-amino-3-propan-2-yliminoprop-1-enyl]-5-methyl-2-(1-methylimidazol-2-yl)thieno[2,3-d]pyrimidin-4-yl]amino]cyclopentyl]methanol;ethane
CID 164601320
[1-[2-(1-methylimidazol-2-yl)-6-(1-methylpyrazol-4-yl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]pyrrolidin-3-yl]methanol
CID 167390214
N-(2-methoxyethyl)-2-(1-methylimidazol-2-yl)-6-phenyl-5-pyridin-4-ylthieno[2,3-d]pyrimidin-4-amine
CID 137429711
3-[[5-methyl-2-(1-methylimidazol-2-yl)-6-(1-propan-2-ylpyrazol-3-yl)thieno[2,3-d]pyrimidin-4-yl]amino]cyclobutane-1-carbaldehyde
CID 167390146
N-(3-methoxycyclobutyl)-5-methyl-2-(1-methylimidazol-2-yl)-6-(1-propan-2-ylpyrazol-3-yl)thieno[2,3-d]pyrimidin-4-amine
CID 163747575
2-(1-methylimidazol-2-yl)-6-phenyl-5-pyridin-2-yl-N-(2-sulfanyloxyethyl)thieno[2,3-d]pyrimidin-4-amine
CID 166559601
[3-amino-4-(4-methoxyphenyl)-6-phenylthieno[2,3-b]pyridin-2-yl]-morpholin-4-ylmethanone
CID 1147313
4-(3-methoxypyrrolidin-1-yl)-2-(1-methylimidazol-2-yl)-6-(2-methylpyrazol-3-yl)-5-phenylthieno[2,3-d]pyrimidine
CID 167390309
4-(3-methoxypyrrolidin-1-yl)-2-(1-methylimidazol-2-yl)-6-(1-methylpyrazol-4-yl)-5-phenylthieno[2,3-d]pyrimidine
CID 167390222

Frequently Asked Questions

What is the IUPAC name of [4-[[3-(hydroxymethyl)cyclobutyl]amino]-2-(1-methylimidazol-2-yl)-5-phenylthieno[2,3-d]pyrimidin-6-yl]-morpholin-4-ylmethanone?
The IUPAC name of [4-[[3-(hydroxymethyl)cyclobutyl]amino]-2-(1-methylimidazol-2-yl)-5-phenylthieno[2,3-d]pyrimidin-6-yl]-morpholin-4-ylmethanone (CID 167390132) is [4-[[3-(hydroxymethyl)cyclobutyl]amino]-2-(1-methylimidazol-2-yl)-5-phenylthieno[2,3-d]pyrimidin-6-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-[[3-(hydroxymethyl)cyclobutyl]amino]-2-(1-methylimidazol-2-yl)-5-phenylthieno[2,3-d]pyrimidin-6-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-[[3-(hydroxymethyl)cyclobutyl]amino]-2-(1-methylimidazol-2-yl)-5-phenylthieno[2,3-d]pyrimidin-6-yl]-morpholin-4-ylmethanone is Cn1ccnc1-c1nc(NC2CC(CO)C2)c2c(-c3ccccc3)c(C(=O)N3CCOCC3)sc2n1.
What is the InChIKey of [4-[[3-(hydroxymethyl)cyclobutyl]amino]-2-(1-methylimidazol-2-yl)-5-phenylthieno[2,3-d]pyrimidin-6-yl]-morpholin-4-ylmethanone?
The InChIKey is ZMZXCKTUINTSIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N6O3S/c1-31-8-7-27-24(31)23-29-22(28-18-13-16(14-18)15-33)20-19(17-5-3-2-4-6-17)21(36-25(20)30-23)26(34)32-9-11-35-12-10-32/h2-8,16,18,33H,9-15H2,1H3,(H,28,29,30).
What are the key properties of [4-[[3-(hydroxymethyl)cyclobutyl]amino]-2-(1-methylimidazol-2-yl)-5-phenylthieno[2,3-d]pyrimidin-6-yl]-morpholin-4-ylmethanone?
[4-[[3-(hydroxymethyl)cyclobutyl]amino]-2-(1-methylimidazol-2-yl)-5-phenylthieno[2,3-d]pyrimidin-6-yl]-morpholin-4-ylmethanone has a molecular weight of 504.62 g/mol, XLogP of 3.41, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[3-(hydroxymethyl)cyclobutyl]amino]-2-(1-methylimidazol-2-yl)-5-phenylthieno[2,3-d]pyrimidin-6-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 167390132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).