[6-(4-aminopyrimidin-2-yl)-2-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone

C17H22N8O — CID 72917927

IUPAC[6-(4-aminopyrimidin-2-yl)-2-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone
SMILESCNc1nc2c(c(C(=O)N3CCCC3)n1)CN(c1nccc(N)n1)CC2
InChIInChI=1S/C17H22N8O/c1-19-16-21-12-5-9-25(17-20-6-4-13(18)22-17)10-11(12)14(23-16)15(26)24-7-2-3-8-24/h4,6H,2-3,5,7-10H2,1H3,(H2,18,20,22)(H,19,21,23)
InChIKeyYYZPXARORUVJAI-UHFFFAOYSA-N
MW354.42 g/mol
LogP0.69
Rot. Bonds3

About [6-(4-aminopyrimidin-2-yl)-2-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone

[6-(4-aminopyrimidin-2-yl)-2-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone (PubChem CID 72917927) has the molecular formula C17H22N8O and a molecular weight of 354.42 g/mol. Its IUPAC name is [6-(4-aminopyrimidin-2-yl)-2-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[6-(4-aminopyrimidin-2-yl)-2-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone
PubChem CID72917927
Molecular FormulaC17H22N8O
Molecular Weight354.42 g/mol
Exact Mass354.19
IUPAC Name[6-(4-aminopyrimidin-2-yl)-2-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone
SMILESCNc1nc2c(c(C(=O)N3CCCC3)n1)CN(c1nccc(N)n1)CC2
InChIInChI=1S/C17H22N8O/c1-19-16-21-12-5-9-25(17-20-6-4-13(18)22-17)10-11(12)14(23-16)15(26)24-7-2-3-8-24/h4,6H,2-3,5,7-10H2,1H3,(H2,18,20,22)(H,19,21,23)
InChIKeyYYZPXARORUVJAI-UHFFFAOYSA-N
XLogP0.69
TPSA113.16 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.42
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [6-(4-aminopyrimidin-2-yl)-2-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [6-(4-aminopyrimidin-2-yl)-2-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone (CID 72917927) is [6-(4-aminopyrimidin-2-yl)-2-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [6-(4-aminopyrimidin-2-yl)-2-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [6-(4-aminopyrimidin-2-yl)-2-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone is CNc1nc2c(c(C(=O)N3CCCC3)n1)CN(c1nccc(N)n1)CC2.
What is the InChIKey of [6-(4-aminopyrimidin-2-yl)-2-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is YYZPXARORUVJAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N8O/c1-19-16-21-12-5-9-25(17-20-6-4-13(18)22-17)10-11(12)14(23-16)15(26)24-7-2-3-8-24/h4,6H,2-3,5,7-10H2,1H3,(H2,18,20,22)(H,19,21,23).
What are the key properties of [6-(4-aminopyrimidin-2-yl)-2-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone?
[6-(4-aminopyrimidin-2-yl)-2-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 354.42 g/mol, XLogP of 0.69, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(4-aminopyrimidin-2-yl)-2-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 72917927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).