1-[4-(4-cyclopropylpiperazin-1-yl)-5-phenylthieno[2,3-d]pyrimidin-2-yl]-N,N-dimethylmethanamine

C22H27N5S — CID 133279187

IUPAC1-[4-(4-cyclopropylpiperazin-1-yl)-5-phenylthieno[2,3-d]pyrimidin-2-yl]-N,N-dimethylmethanamine
SMILESCN(C)Cc1nc(N2CCN(C3CC3)CC2)c2c(-c3ccccc3)csc2n1
InChIInChI=1S/C22H27N5S/c1-25(2)14-19-23-21(27-12-10-26(11-13-27)17-8-9-17)20-18(15-28-22(20)24-19)16-6-4-3-5-7-16/h3-7,15,17H,8-14H2,1-2H3
InChIKeyUXXYLVYVWGJAAO-UHFFFAOYSA-N
MW393.56 g/mol
LogP3.70
Rot. Bonds5

About 1-[4-(4-cyclopropylpiperazin-1-yl)-5-phenylthieno[2,3-d]pyrimidin-2-yl]-N,N-dimethylmethanamine

1-[4-(4-cyclopropylpiperazin-1-yl)-5-phenylthieno[2,3-d]pyrimidin-2-yl]-N,N-dimethylmethanamine (PubChem CID 133279187) has the molecular formula C22H27N5S and a molecular weight of 393.56 g/mol. Its IUPAC name is 1-[4-(4-cyclopropylpiperazin-1-yl)-5-phenylthieno[2,3-d]pyrimidin-2-yl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[4-(4-cyclopropylpiperazin-1-yl)-5-phenylthieno[2,3-d]pyrimidin-2-yl]-N,N-dimethylmethanamine
PubChem CID133279187
Molecular FormulaC22H27N5S
Molecular Weight393.56 g/mol
Exact Mass393.20
IUPAC Name1-[4-(4-cyclopropylpiperazin-1-yl)-5-phenylthieno[2,3-d]pyrimidin-2-yl]-N,N-dimethylmethanamine
SMILESCN(C)Cc1nc(N2CCN(C3CC3)CC2)c2c(-c3ccccc3)csc2n1
InChIInChI=1S/C22H27N5S/c1-25(2)14-19-23-21(27-12-10-26(11-13-27)17-8-9-17)20-18(15-28-22(20)24-19)16-6-4-3-5-7-16/h3-7,15,17H,8-14H2,1-2H3
InChIKeyUXXYLVYVWGJAAO-UHFFFAOYSA-N
XLogP3.70
TPSA35.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.56
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[4-(4-cyclopropylpiperazin-1-yl)-5-phenylthieno[2,3-d]pyrimidin-2-yl]-N,N-dimethylmethanamine with MolForge

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Related Compounds

4-(4-cyclopropylpiperazin-1-yl)-2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidine
CID 133279186
N,N-dimethyl-1-(4-morpholin-4-yl-5-phenylthieno[2,3-d]pyrimidin-2-yl)methanamine
CID 133278686
1-[2-[(dimethylamino)methyl]-5-phenylthieno[2,3-d]pyrimidin-4-yl]piperidine-4-carboxamide
CID 133278712
N,N-dimethyl-1-[5-phenyl-4-(4-prop-2-ynylpiperazin-1-yl)thieno[2,3-d]pyrimidin-2-yl]methanamine
CID 133278924
N-[1-[2-[(dimethylamino)methyl]-5-phenylthieno[2,3-d]pyrimidin-4-yl]piperidin-4-yl]acetamide
CID 133279228
(3R,4R)-1-[2-[(dimethylamino)methyl]-5-phenylthieno[2,3-d]pyrimidin-4-yl]-4-(hydroxymethyl)piperidin-3-ol
CID 100603337
(3R,4S)-1-[2-[(dimethylamino)methyl]-5-phenylthieno[2,3-d]pyrimidin-4-yl]-4-(hydroxymethyl)piperidin-3-ol
CID 100603327
N,N-dimethyl-1-[4-(2-methylmorpholin-4-yl)-5-phenylthieno[2,3-d]pyrimidin-2-yl]methanamine
CID 133278888
(3S)-3-[4-(2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]thiolane 1,1-dioxide
CID 40798532
N-cyclopropyl-1-[2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]piperidin-4-amine
CID 133381214
2-[(dimethylamino)methyl]-N-(1-methylpiperidin-4-yl)-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 133278823
(3R)-2-[2-[(dimethylamino)methyl]-5-phenylthieno[2,3-d]pyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 133278815

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-cyclopropylpiperazin-1-yl)-5-phenylthieno[2,3-d]pyrimidin-2-yl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[4-(4-cyclopropylpiperazin-1-yl)-5-phenylthieno[2,3-d]pyrimidin-2-yl]-N,N-dimethylmethanamine (CID 133279187) is 1-[4-(4-cyclopropylpiperazin-1-yl)-5-phenylthieno[2,3-d]pyrimidin-2-yl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[4-(4-cyclopropylpiperazin-1-yl)-5-phenylthieno[2,3-d]pyrimidin-2-yl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[4-(4-cyclopropylpiperazin-1-yl)-5-phenylthieno[2,3-d]pyrimidin-2-yl]-N,N-dimethylmethanamine is CN(C)Cc1nc(N2CCN(C3CC3)CC2)c2c(-c3ccccc3)csc2n1.
What is the InChIKey of 1-[4-(4-cyclopropylpiperazin-1-yl)-5-phenylthieno[2,3-d]pyrimidin-2-yl]-N,N-dimethylmethanamine?
The InChIKey is UXXYLVYVWGJAAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5S/c1-25(2)14-19-23-21(27-12-10-26(11-13-27)17-8-9-17)20-18(15-28-22(20)24-19)16-6-4-3-5-7-16/h3-7,15,17H,8-14H2,1-2H3.
What are the key properties of 1-[4-(4-cyclopropylpiperazin-1-yl)-5-phenylthieno[2,3-d]pyrimidin-2-yl]-N,N-dimethylmethanamine?
1-[4-(4-cyclopropylpiperazin-1-yl)-5-phenylthieno[2,3-d]pyrimidin-2-yl]-N,N-dimethylmethanamine has a molecular weight of 393.56 g/mol, XLogP of 3.70, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-cyclopropylpiperazin-1-yl)-5-phenylthieno[2,3-d]pyrimidin-2-yl]-N,N-dimethylmethanamine is sourced from PubChem (CID 133279187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).