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

C18H24N6O2 — CID 72906506

IUPAC[2-(methylamino)-6-[(3-methyl-1,2-oxazol-5-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone
SMILESCNc1nc2c(c(C(=O)N3CCCC3)n1)CN(Cc1cc(C)no1)CC2
InChIInChI=1S/C18H24N6O2/c1-12-9-13(26-22-12)10-23-8-5-15-14(11-23)16(21-18(19-2)20-15)17(25)24-6-3-4-7-24/h9H,3-8,10-11H2,1-2H3,(H,19,20,21)
InChIKeyVCFZUJMRTQRUIT-UHFFFAOYSA-N
MW356.43 g/mol
LogP1.61
Rot. Bonds4

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

[2-(methylamino)-6-[(3-methyl-1,2-oxazol-5-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone (PubChem CID 72906506) has the molecular formula C18H24N6O2 and a molecular weight of 356.43 g/mol. Its IUPAC name is [2-(methylamino)-6-[(3-methyl-1,2-oxazol-5-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[2-(methylamino)-6-[(3-methyl-1,2-oxazol-5-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone
PubChem CID72906506
Molecular FormulaC18H24N6O2
Molecular Weight356.43 g/mol
Exact Mass356.20
IUPAC Name[2-(methylamino)-6-[(3-methyl-1,2-oxazol-5-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone
SMILESCNc1nc2c(c(C(=O)N3CCCC3)n1)CN(Cc1cc(C)no1)CC2
InChIInChI=1S/C18H24N6O2/c1-12-9-13(26-22-12)10-23-8-5-15-14(11-23)16(21-18(19-2)20-15)17(25)24-6-3-4-7-24/h9H,3-8,10-11H2,1-2H3,(H,19,20,21)
InChIKeyVCFZUJMRTQRUIT-UHFFFAOYSA-N
XLogP1.61
TPSA87.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [2-(methylamino)-6-[(3-methyl-1,2-oxazol-5-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [2-(methylamino)-6-[(3-methyl-1,2-oxazol-5-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [2-(methylamino)-6-[(3-methyl-1,2-oxazol-5-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone (CID 72906506) is [2-(methylamino)-6-[(3-methyl-1,2-oxazol-5-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [2-(methylamino)-6-[(3-methyl-1,2-oxazol-5-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [2-(methylamino)-6-[(3-methyl-1,2-oxazol-5-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone is CNc1nc2c(c(C(=O)N3CCCC3)n1)CN(Cc1cc(C)no1)CC2.
What is the InChIKey of [2-(methylamino)-6-[(3-methyl-1,2-oxazol-5-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is VCFZUJMRTQRUIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O2/c1-12-9-13(26-22-12)10-23-8-5-15-14(11-23)16(21-18(19-2)20-15)17(25)24-6-3-4-7-24/h9H,3-8,10-11H2,1-2H3,(H,19,20,21).
What are the key properties of [2-(methylamino)-6-[(3-methyl-1,2-oxazol-5-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone?
[2-(methylamino)-6-[(3-methyl-1,2-oxazol-5-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 356.43 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(methylamino)-6-[(3-methyl-1,2-oxazol-5-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 72906506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).