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

C16H25N5O — CID 118740192

IUPAC1-[3-[6-methyl-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCC(c2nc3c(c(NC)n2)CN(C)CC3)C1
InChIInChI=1S/C16H25N5O/c1-4-14(22)21-8-5-11(9-21)15-18-13-6-7-20(3)10-12(13)16(17-2)19-15/h11H,4-10H2,1-3H3,(H,17,18,19)
InChIKeyASKAJXQVUCWVBJ-UHFFFAOYSA-N
MW303.41 g/mol
LogP1.23
Rot. Bonds3

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

1-[3-[6-methyl-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]propan-1-one (PubChem CID 118740192) has the molecular formula C16H25N5O and a molecular weight of 303.41 g/mol. Its IUPAC name is 1-[3-[6-methyl-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[3-[6-methyl-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]propan-1-one
PubChem CID118740192
Molecular FormulaC16H25N5O
Molecular Weight303.41 g/mol
Exact Mass303.21
IUPAC Name1-[3-[6-methyl-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCC(c2nc3c(c(NC)n2)CN(C)CC3)C1
InChIInChI=1S/C16H25N5O/c1-4-14(22)21-8-5-11(9-21)15-18-13-6-7-20(3)10-12(13)16(17-2)19-15/h11H,4-10H2,1-3H3,(H,17,18,19)
InChIKeyASKAJXQVUCWVBJ-UHFFFAOYSA-N
XLogP1.23
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[6-methyl-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]propan-1-one?
The IUPAC name of 1-[3-[6-methyl-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]propan-1-one (CID 118740192) is 1-[3-[6-methyl-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]propan-1-one.
What is the SMILES notation for 1-[3-[6-methyl-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]propan-1-one?
The canonical SMILES for 1-[3-[6-methyl-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]propan-1-one is CCC(=O)N1CCC(c2nc3c(c(NC)n2)CN(C)CC3)C1.
What is the InChIKey of 1-[3-[6-methyl-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]propan-1-one?
The InChIKey is ASKAJXQVUCWVBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O/c1-4-14(22)21-8-5-11(9-21)15-18-13-6-7-20(3)10-12(13)16(17-2)19-15/h11H,4-10H2,1-3H3,(H,17,18,19).
What are the key properties of 1-[3-[6-methyl-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]propan-1-one?
1-[3-[6-methyl-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]propan-1-one has a molecular weight of 303.41 g/mol, XLogP of 1.23, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[6-methyl-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 118740192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).