2-(methoxymethyl)-5-phenyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]thieno[2,3-d]pyrimidin-4-amine

C24H25N5OS — CID 133278921

IUPAC2-(methoxymethyl)-5-phenyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCOCc1nc(NCc2ccnc(N3CCCC3)c2)c2c(-c3ccccc3)csc2n1
InChIInChI=1S/C24H25N5OS/c1-30-15-20-27-23(22-19(16-31-24(22)28-20)18-7-3-2-4-8-18)26-14-17-9-10-25-21(13-17)29-11-5-6-12-29/h2-4,7-10,13,16H,5-6,11-12,14-15H2,1H3,(H,26,27,28)
InChIKeyZGNXNHDTLRHBOB-UHFFFAOYSA-N
MW431.57 g/mol
LogP5.11
Rot. Bonds7

About 2-(methoxymethyl)-5-phenyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]thieno[2,3-d]pyrimidin-4-amine

2-(methoxymethyl)-5-phenyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]thieno[2,3-d]pyrimidin-4-amine (PubChem CID 133278921) has the molecular formula C24H25N5OS and a molecular weight of 431.57 g/mol. Its IUPAC name is 2-(methoxymethyl)-5-phenyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(methoxymethyl)-5-phenyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]thieno[2,3-d]pyrimidin-4-amine
PubChem CID133278921
Molecular FormulaC24H25N5OS
Molecular Weight431.57 g/mol
Exact Mass431.18
IUPAC Name2-(methoxymethyl)-5-phenyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCOCc1nc(NCc2ccnc(N3CCCC3)c2)c2c(-c3ccccc3)csc2n1
InChIInChI=1S/C24H25N5OS/c1-30-15-20-27-23(22-19(16-31-24(22)28-20)18-7-3-2-4-8-18)26-14-17-9-10-25-21(13-17)29-11-5-6-12-29/h2-4,7-10,13,16H,5-6,11-12,14-15H2,1H3,(H,26,27,28)
InChIKeyZGNXNHDTLRHBOB-UHFFFAOYSA-N
XLogP5.11
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.57
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-(methoxymethyl)-5-phenyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]thieno[2,3-d]pyrimidin-4-amine 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

2-(methoxymethyl)-5-phenyl-N-(pyridin-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 133278697
3-[[[2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]amino]methyl]benzamide
CID 133278970
5-(4-chlorophenyl)-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 18204073
2-(methoxymethyl)-N-(2-morpholin-4-ylethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 133278714
N-[2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]-N',N'-dimethylethane-1,2-diamine
CID 133447047
2-(methoxymethyl)-N-(2-methylsulfonylethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 133279130
N-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methyl]-2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 75457555
N-[(6-methoxy-3-pyridinyl)methyl]-2-(morpholin-4-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 16605764
N-benzyl-2-(morpholin-4-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 2481763
2-(methoxymethyl)-5-phenyl-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]thieno[2,3-d]pyrimidin-4-amine
CID 133279214
2-(methoxymethyl)-N-(1-methylsulfanylpropan-2-yl)-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 133311829
4-chloro-2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidine
CID 47002660

Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-5-phenyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-(methoxymethyl)-5-phenyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]thieno[2,3-d]pyrimidin-4-amine (CID 133278921) is 2-(methoxymethyl)-5-phenyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-(methoxymethyl)-5-phenyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-(methoxymethyl)-5-phenyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]thieno[2,3-d]pyrimidin-4-amine is COCc1nc(NCc2ccnc(N3CCCC3)c2)c2c(-c3ccccc3)csc2n1.
What is the InChIKey of 2-(methoxymethyl)-5-phenyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is ZGNXNHDTLRHBOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5OS/c1-30-15-20-27-23(22-19(16-31-24(22)28-20)18-7-3-2-4-8-18)26-14-17-9-10-25-21(13-17)29-11-5-6-12-29/h2-4,7-10,13,16H,5-6,11-12,14-15H2,1H3,(H,26,27,28).
What are the key properties of 2-(methoxymethyl)-5-phenyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]thieno[2,3-d]pyrimidin-4-amine?
2-(methoxymethyl)-5-phenyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 431.57 g/mol, XLogP of 5.11, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-5-phenyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 133278921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).