6-methyl-2-pyridin-4-yl-4-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

C17H21N5 — CID 5126453

IUPAC6-methyl-2-pyridin-4-yl-4-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCN1CCc2nc(-c3ccncc3)nc(N3CCCC3)c2C1
InChIInChI=1S/C17H21N5/c1-21-11-6-15-14(12-21)17(22-9-2-3-10-22)20-16(19-15)13-4-7-18-8-5-13/h4-5,7-8H,2-3,6,9-12H2,1H3
InChIKeyXAVJLZFLDBWTEE-UHFFFAOYSA-N
MW295.39 g/mol
LogP2.13
Rot. Bonds2

About 6-methyl-2-pyridin-4-yl-4-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

6-methyl-2-pyridin-4-yl-4-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 5126453) has the molecular formula C17H21N5 and a molecular weight of 295.39 g/mol. Its IUPAC name is 6-methyl-2-pyridin-4-yl-4-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name6-methyl-2-pyridin-4-yl-4-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
PubChem CID5126453
Molecular FormulaC17H21N5
Molecular Weight295.39 g/mol
Exact Mass295.18
IUPAC Name6-methyl-2-pyridin-4-yl-4-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCN1CCc2nc(-c3ccncc3)nc(N3CCCC3)c2C1
InChIInChI=1S/C17H21N5/c1-21-11-6-15-14(12-21)17(22-9-2-3-10-22)20-16(19-15)13-4-7-18-8-5-13/h4-5,7-8H,2-3,6,9-12H2,1H3
InChIKeyXAVJLZFLDBWTEE-UHFFFAOYSA-N
XLogP2.13
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-pyridin-4-yl-4-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The IUPAC name of 6-methyl-2-pyridin-4-yl-4-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 5126453) is 6-methyl-2-pyridin-4-yl-4-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.
What is the SMILES notation for 6-methyl-2-pyridin-4-yl-4-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The canonical SMILES for 6-methyl-2-pyridin-4-yl-4-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is CN1CCc2nc(-c3ccncc3)nc(N3CCCC3)c2C1.
What is the InChIKey of 6-methyl-2-pyridin-4-yl-4-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The InChIKey is XAVJLZFLDBWTEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5/c1-21-11-6-15-14(12-21)17(22-9-2-3-10-22)20-16(19-15)13-4-7-18-8-5-13/h4-5,7-8H,2-3,6,9-12H2,1H3.
What are the key properties of 6-methyl-2-pyridin-4-yl-4-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
6-methyl-2-pyridin-4-yl-4-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 295.39 g/mol, XLogP of 2.13, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-pyridin-4-yl-4-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 5126453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).