4-(4-cyclopropylpiperazin-1-yl)-2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidine

C21H24N4OS — CID 133279186

IUPAC4-(4-cyclopropylpiperazin-1-yl)-2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidine
SMILESCOCc1nc(N2CCN(C3CC3)CC2)c2c(-c3ccccc3)csc2n1
InChIInChI=1S/C21H24N4OS/c1-26-13-18-22-20(25-11-9-24(10-12-25)16-7-8-16)19-17(14-27-21(19)23-18)15-5-3-2-4-6-15/h2-6,14,16H,7-13H2,1H3
InChIKeySLXVRAKQJIGIGK-UHFFFAOYSA-N
MW380.52 g/mol
LogP3.79
Rot. Bonds5

About 4-(4-cyclopropylpiperazin-1-yl)-2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidine

4-(4-cyclopropylpiperazin-1-yl)-2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidine (PubChem CID 133279186) has the molecular formula C21H24N4OS and a molecular weight of 380.52 g/mol. Its IUPAC name is 4-(4-cyclopropylpiperazin-1-yl)-2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-(4-cyclopropylpiperazin-1-yl)-2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidine
PubChem CID133279186
Molecular FormulaC21H24N4OS
Molecular Weight380.52 g/mol
Exact Mass380.17
IUPAC Name4-(4-cyclopropylpiperazin-1-yl)-2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidine
SMILESCOCc1nc(N2CCN(C3CC3)CC2)c2c(-c3ccccc3)csc2n1
InChIInChI=1S/C21H24N4OS/c1-26-13-18-22-20(25-11-9-24(10-12-25)16-7-8-16)19-17(14-27-21(19)23-18)15-5-3-2-4-6-15/h2-6,14,16H,7-13H2,1H3
InChIKeySLXVRAKQJIGIGK-UHFFFAOYSA-N
XLogP3.79
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.52
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclopropyl-1-[2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]piperidin-4-amine
CID 133381214
1-[4-(4-cyclopropylpiperazin-1-yl)-5-phenylthieno[2,3-d]pyrimidin-2-yl]-N,N-dimethylmethanamine
CID 133279187
2-(methoxymethyl)-4-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-5-phenylthieno[2,3-d]pyrimidine
CID 133279000
N-[1-[2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]piperidin-4-yl]acetamide
CID 133279227
2-(methoxymethyl)-4-(4-methylsulfonyl-1,4-diazepan-1-yl)-5-phenylthieno[2,3-d]pyrimidine
CID 133278925
N-ethyl-4-[2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]piperazine-1-carboxamide
CID 133367069
[1-[2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol
CID 133395933
4-(1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl)-2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidine
CID 133279182
4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidine
CID 133278747
6-[2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]-4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine
CID 127470187
(3S)-3-[4-(2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]thiolane 1,1-dioxide
CID 40798532
4-chloro-2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidine
CID 47002660

Frequently Asked Questions

What is the IUPAC name of 4-(4-cyclopropylpiperazin-1-yl)-2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidine?
The IUPAC name of 4-(4-cyclopropylpiperazin-1-yl)-2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidine (CID 133279186) is 4-(4-cyclopropylpiperazin-1-yl)-2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidine.
What is the SMILES notation for 4-(4-cyclopropylpiperazin-1-yl)-2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidine?
The canonical SMILES for 4-(4-cyclopropylpiperazin-1-yl)-2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidine is COCc1nc(N2CCN(C3CC3)CC2)c2c(-c3ccccc3)csc2n1.
What is the InChIKey of 4-(4-cyclopropylpiperazin-1-yl)-2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidine?
The InChIKey is SLXVRAKQJIGIGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4OS/c1-26-13-18-22-20(25-11-9-24(10-12-25)16-7-8-16)19-17(14-27-21(19)23-18)15-5-3-2-4-6-15/h2-6,14,16H,7-13H2,1H3.
What are the key properties of 4-(4-cyclopropylpiperazin-1-yl)-2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidine?
4-(4-cyclopropylpiperazin-1-yl)-2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidine has a molecular weight of 380.52 g/mol, XLogP of 3.79, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyclopropylpiperazin-1-yl)-2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidine is sourced from PubChem (CID 133279186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).