(2,4-diamino-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-thiophen-2-ylmethanone

C12H13N5OS — CID 137381673

IUPAC(2,4-diamino-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-thiophen-2-ylmethanone
SMILESNc1nc(N)c2c(n1)CCN(C(=O)c1cccs1)C2
InChIInChI=1S/C12H13N5OS/c13-10-7-6-17(11(18)9-2-1-5-19-9)4-3-8(7)15-12(14)16-10/h1-2,5H,3-4,6H2,(H4,13,14,15,16)
InChIKeyYNVNCDHINPZCPT-UHFFFAOYSA-N
MW275.34 g/mol
LogP0.90
Rot. Bonds1

About (2,4-diamino-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-thiophen-2-ylmethanone

(2,4-diamino-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-thiophen-2-ylmethanone (PubChem CID 137381673) has the molecular formula C12H13N5OS and a molecular weight of 275.34 g/mol. Its IUPAC name is (2,4-diamino-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-thiophen-2-ylmethanone.

Molecular Properties

Compound Name(2,4-diamino-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-thiophen-2-ylmethanone
PubChem CID137381673
Molecular FormulaC12H13N5OS
Molecular Weight275.34 g/mol
Exact Mass275.08
IUPAC Name(2,4-diamino-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-thiophen-2-ylmethanone
SMILESNc1nc(N)c2c(n1)CCN(C(=O)c1cccs1)C2
InChIInChI=1S/C12H13N5OS/c13-10-7-6-17(11(18)9-2-1-5-19-9)4-3-8(7)15-12(14)16-10/h1-2,5H,3-4,6H2,(H4,13,14,15,16)
InChIKeyYNVNCDHINPZCPT-UHFFFAOYSA-N
XLogP0.90
TPSA98.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.34
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (2,4-diamino-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-thiophen-2-ylmethanone with MolForge

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Related Compounds

[4-(dimethylamino)-2-(4-methylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-thiophen-2-ylmethanone
CID 46050646
1-(thiophene-2-carbonyl)pyrrolidin-3-one
CID 112536071
(2-morpholin-4-yl-4-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-thiophen-2-ylmethanone
CID 46050995
2-amino-6-(thiophene-2-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 98659185
2-[1-(cyclopropylmethyl)piperidin-4-yl]-6-(thiophene-2-carbonyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136796048
1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 60635968
2-[(2S)-1-(cyclopentanecarbonyl)pyrrolidin-2-yl]-6-(thiophene-2-carbonyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136681663
[4-(2-fluorophenoxy)-2-piperidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-thiophen-2-ylmethanone
CID 42871142
2-[1-(cyclopentanecarbonyl)piperidin-3-yl]-6-(thiophene-2-carbonyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136796167
2-[(3R)-1-propanoylpiperidin-3-yl]-6-(thiophene-2-carbonyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136891916
[4-(4-methylphenoxy)-2-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-thiophen-2-ylmethanone
CID 46050324
[4-(2-pyridin-3-ylethyl)-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-thiophen-2-ylmethanone
CID 46958031

Frequently Asked Questions

What is the IUPAC name of (2,4-diamino-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-thiophen-2-ylmethanone?
The IUPAC name of (2,4-diamino-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-thiophen-2-ylmethanone (CID 137381673) is (2,4-diamino-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-thiophen-2-ylmethanone.
What is the SMILES notation for (2,4-diamino-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-thiophen-2-ylmethanone?
The canonical SMILES for (2,4-diamino-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-thiophen-2-ylmethanone is Nc1nc(N)c2c(n1)CCN(C(=O)c1cccs1)C2.
What is the InChIKey of (2,4-diamino-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-thiophen-2-ylmethanone?
The InChIKey is YNVNCDHINPZCPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5OS/c13-10-7-6-17(11(18)9-2-1-5-19-9)4-3-8(7)15-12(14)16-10/h1-2,5H,3-4,6H2,(H4,13,14,15,16).
What are the key properties of (2,4-diamino-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-thiophen-2-ylmethanone?
(2,4-diamino-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-thiophen-2-ylmethanone has a molecular weight of 275.34 g/mol, XLogP of 0.90, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-diamino-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-thiophen-2-ylmethanone is sourced from PubChem (CID 137381673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).