2-methoxy-1-[2-(methylamino)-4-(pyrrolidine-1-carbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]butan-1-one

C18H27N5O3 — CID 70742306

IUPAC2-methoxy-1-[2-(methylamino)-4-(pyrrolidine-1-carbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]butan-1-one
SMILESCCC(OC)C(=O)N1CCc2nc(NC)nc(C(=O)N3CCCC3)c2C1
InChIInChI=1S/C18H27N5O3/c1-4-14(26-3)16(24)23-10-7-13-12(11-23)15(21-18(19-2)20-13)17(25)22-8-5-6-9-22/h14H,4-11H2,1-3H3,(H,19,20,21)
InChIKeyZULMGRDMGBQULC-UHFFFAOYSA-N
MW361.45 g/mol
LogP1.06
Rot. Bonds5

About 2-methoxy-1-[2-(methylamino)-4-(pyrrolidine-1-carbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]butan-1-one

2-methoxy-1-[2-(methylamino)-4-(pyrrolidine-1-carbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]butan-1-one (PubChem CID 70742306) has the molecular formula C18H27N5O3 and a molecular weight of 361.45 g/mol. Its IUPAC name is 2-methoxy-1-[2-(methylamino)-4-(pyrrolidine-1-carbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]butan-1-one.

Molecular Properties

Compound Name2-methoxy-1-[2-(methylamino)-4-(pyrrolidine-1-carbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]butan-1-one
PubChem CID70742306
Molecular FormulaC18H27N5O3
Molecular Weight361.45 g/mol
Exact Mass361.21
IUPAC Name2-methoxy-1-[2-(methylamino)-4-(pyrrolidine-1-carbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]butan-1-one
SMILESCCC(OC)C(=O)N1CCc2nc(NC)nc(C(=O)N3CCCC3)c2C1
InChIInChI=1S/C18H27N5O3/c1-4-14(26-3)16(24)23-10-7-13-12(11-23)15(21-18(19-2)20-13)17(25)22-8-5-6-9-22/h14H,4-11H2,1-3H3,(H,19,20,21)
InChIKeyZULMGRDMGBQULC-UHFFFAOYSA-N
XLogP1.06
TPSA87.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-[2-(methylamino)-4-(pyrrolidine-1-carbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]butan-1-one?
The IUPAC name of 2-methoxy-1-[2-(methylamino)-4-(pyrrolidine-1-carbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]butan-1-one (CID 70742306) is 2-methoxy-1-[2-(methylamino)-4-(pyrrolidine-1-carbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]butan-1-one.
What is the SMILES notation for 2-methoxy-1-[2-(methylamino)-4-(pyrrolidine-1-carbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]butan-1-one?
The canonical SMILES for 2-methoxy-1-[2-(methylamino)-4-(pyrrolidine-1-carbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]butan-1-one is CCC(OC)C(=O)N1CCc2nc(NC)nc(C(=O)N3CCCC3)c2C1.
What is the InChIKey of 2-methoxy-1-[2-(methylamino)-4-(pyrrolidine-1-carbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]butan-1-one?
The InChIKey is ZULMGRDMGBQULC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O3/c1-4-14(26-3)16(24)23-10-7-13-12(11-23)15(21-18(19-2)20-13)17(25)22-8-5-6-9-22/h14H,4-11H2,1-3H3,(H,19,20,21).
What are the key properties of 2-methoxy-1-[2-(methylamino)-4-(pyrrolidine-1-carbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]butan-1-one?
2-methoxy-1-[2-(methylamino)-4-(pyrrolidine-1-carbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]butan-1-one has a molecular weight of 361.45 g/mol, XLogP of 1.06, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-[2-(methylamino)-4-(pyrrolidine-1-carbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]butan-1-one is sourced from PubChem (CID 70742306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).