1-N-[7-(5-methyl-1,2-oxazol-3-yl)-2-pyridin-4-ylthieno[3,2-d]pyrimidin-4-yl]-3-phenylpropane-1,2-diamine

C24H22N6OS — CID 123809199

IUPAC1-N-[7-(5-methyl-1,2-oxazol-3-yl)-2-pyridin-4-ylthieno[3,2-d]pyrimidin-4-yl]-3-phenylpropane-1,2-diamine
SMILESCc1cc(-c2csc3c(NCC(N)Cc4ccccc4)nc(-c4ccncc4)nc23)no1
InChIInChI=1S/C24H22N6OS/c1-15-11-20(30-31-15)19-14-32-22-21(19)28-23(17-7-9-26-10-8-17)29-24(22)27-13-18(25)12-16-5-3-2-4-6-16/h2-11,14,18H,12-13,25H2,1H3,(H,27,28,29)
InChIKeyYGZOUNFVVDILHM-UHFFFAOYSA-N
MW442.55 g/mol
LogP4.70
Rot. Bonds7

About 1-N-[7-(5-methyl-1,2-oxazol-3-yl)-2-pyridin-4-ylthieno[3,2-d]pyrimidin-4-yl]-3-phenylpropane-1,2-diamine

1-N-[7-(5-methyl-1,2-oxazol-3-yl)-2-pyridin-4-ylthieno[3,2-d]pyrimidin-4-yl]-3-phenylpropane-1,2-diamine (PubChem CID 123809199) has the molecular formula C24H22N6OS and a molecular weight of 442.55 g/mol. Its IUPAC name is 1-N-[7-(5-methyl-1,2-oxazol-3-yl)-2-pyridin-4-ylthieno[3,2-d]pyrimidin-4-yl]-3-phenylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N-[7-(5-methyl-1,2-oxazol-3-yl)-2-pyridin-4-ylthieno[3,2-d]pyrimidin-4-yl]-3-phenylpropane-1,2-diamine
PubChem CID123809199
Molecular FormulaC24H22N6OS
Molecular Weight442.55 g/mol
Exact Mass442.16
IUPAC Name1-N-[7-(5-methyl-1,2-oxazol-3-yl)-2-pyridin-4-ylthieno[3,2-d]pyrimidin-4-yl]-3-phenylpropane-1,2-diamine
SMILESCc1cc(-c2csc3c(NCC(N)Cc4ccccc4)nc(-c4ccncc4)nc23)no1
InChIInChI=1S/C24H22N6OS/c1-15-11-20(30-31-15)19-14-32-22-21(19)28-23(17-7-9-26-10-8-17)29-24(22)27-13-18(25)12-16-5-3-2-4-6-16/h2-11,14,18H,12-13,25H2,1H3,(H,27,28,29)
InChIKeyYGZOUNFVVDILHM-UHFFFAOYSA-N
XLogP4.70
TPSA102.75 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.55
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 1-N-[7-(5-methyl-1,2-oxazol-3-yl)-2-pyridin-4-ylthieno[3,2-d]pyrimidin-4-yl]-3-phenylpropane-1,2-diamine with MolForge

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Related Compounds

3,5-Dimethyl-4-[(3-methyl-2-thienyl)-[4-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]methyl]isoxazole
CID 3011490
5-methyl-3-phenyl-N-(2-pyridin-2-ylthieno[3,2-d]pyrimidin-4-yl)-1,2-oxazole-4-carboxamide
CID 44528630
5-(3-methyl-1,2-oxazol-5-yl)-4-(5-methylthiophen-2-yl)-N-(pyridin-2-ylmethyl)pyrimidin-2-amine
CID 95799418
5-(3-methyl-1,2-oxazol-5-yl)-4-(5-methylthiophen-2-yl)-N-(pyridin-3-ylmethyl)pyrimidin-2-amine
CID 95799419
(2S)-1-N-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridin-4-ylthieno[3,2-d]pyrimidin-4-yl]-3-phenylpropane-1,2-diamine
CID 89596347
(2S)-1-N-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(3-fluoro-4-pyridinyl)thieno[3,2-d]pyrimidin-4-yl]-3-phenylpropane-1,2-diamine
CID 89596432
(2S)-1-N-[2-(3-fluoro-4-pyridinyl)-7-(furan-2-yl)thieno[3,2-d]pyrimidin-4-yl]-3-phenylpropane-1,2-diamine
CID 89596442
(2S)-1-N-[7-(5-methyl-1,2-oxazol-3-yl)-2-pyridin-4-ylthieno[3,2-d]pyrimidin-4-yl]-3-phenylpropane-1,2-diamine
CID 89596602
(2S)-1-N-[7-[4-(aminomethyl)furan-2-yl]-2-(3-fluoro-4-pyridinyl)thieno[3,2-d]pyrimidin-4-yl]-3-phenylpropane-1,2-diamine
CID 89596664
4-N-[(2S)-2-amino-3-phenylpropyl]-7-N-(1,2-oxazol-3-yl)-2-pyridin-4-ylthieno[3,2-d]pyrimidine-4,7-diamine
CID 89596669
(2S)-1-N-[7-(5-ethyl-1,2-oxazol-3-yl)-2-pyridin-4-ylthieno[3,2-d]pyrimidin-4-yl]-3-phenylpropane-1,2-diamine
CID 89596686
(2S)-1-N-[7-(1,2-oxazol-3-yl)-2-pyridin-4-ylthieno[3,2-d]pyrimidin-4-yl]-3-phenylpropane-1,2-diamine
CID 89596690

Frequently Asked Questions

What is the IUPAC name of 1-N-[7-(5-methyl-1,2-oxazol-3-yl)-2-pyridin-4-ylthieno[3,2-d]pyrimidin-4-yl]-3-phenylpropane-1,2-diamine?
The IUPAC name of 1-N-[7-(5-methyl-1,2-oxazol-3-yl)-2-pyridin-4-ylthieno[3,2-d]pyrimidin-4-yl]-3-phenylpropane-1,2-diamine (CID 123809199) is 1-N-[7-(5-methyl-1,2-oxazol-3-yl)-2-pyridin-4-ylthieno[3,2-d]pyrimidin-4-yl]-3-phenylpropane-1,2-diamine.
What is the SMILES notation for 1-N-[7-(5-methyl-1,2-oxazol-3-yl)-2-pyridin-4-ylthieno[3,2-d]pyrimidin-4-yl]-3-phenylpropane-1,2-diamine?
The canonical SMILES for 1-N-[7-(5-methyl-1,2-oxazol-3-yl)-2-pyridin-4-ylthieno[3,2-d]pyrimidin-4-yl]-3-phenylpropane-1,2-diamine is Cc1cc(-c2csc3c(NCC(N)Cc4ccccc4)nc(-c4ccncc4)nc23)no1.
What is the InChIKey of 1-N-[7-(5-methyl-1,2-oxazol-3-yl)-2-pyridin-4-ylthieno[3,2-d]pyrimidin-4-yl]-3-phenylpropane-1,2-diamine?
The InChIKey is YGZOUNFVVDILHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N6OS/c1-15-11-20(30-31-15)19-14-32-22-21(19)28-23(17-7-9-26-10-8-17)29-24(22)27-13-18(25)12-16-5-3-2-4-6-16/h2-11,14,18H,12-13,25H2,1H3,(H,27,28,29).
What are the key properties of 1-N-[7-(5-methyl-1,2-oxazol-3-yl)-2-pyridin-4-ylthieno[3,2-d]pyrimidin-4-yl]-3-phenylpropane-1,2-diamine?
1-N-[7-(5-methyl-1,2-oxazol-3-yl)-2-pyridin-4-ylthieno[3,2-d]pyrimidin-4-yl]-3-phenylpropane-1,2-diamine has a molecular weight of 442.55 g/mol, XLogP of 4.70, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[7-(5-methyl-1,2-oxazol-3-yl)-2-pyridin-4-ylthieno[3,2-d]pyrimidin-4-yl]-3-phenylpropane-1,2-diamine is sourced from PubChem (CID 123809199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).