2-methyl-3-(pyrrolidin-3-ylmethyl)-6,7-dihydro-4H-pyrido[2,3-d]pyrimidine

C13H20N4 — CID 123277080

IUPAC2-methyl-3-(pyrrolidin-3-ylmethyl)-6,7-dihydro-4H-pyrido[2,3-d]pyrimidine
SMILESCC1=NC2=NCCC=C2CN1CC1CCNC1
InChIInChI=1S/C13H20N4/c1-10-16-13-12(3-2-5-15-13)9-17(10)8-11-4-6-14-7-11/h3,11,14H,2,4-9H2,1H3
InChIKeyNJILHVNUSXMZOY-UHFFFAOYSA-N
MW232.33 g/mol
LogP1.06
Rot. Bonds2

About 2-methyl-3-(pyrrolidin-3-ylmethyl)-6,7-dihydro-4H-pyrido[2,3-d]pyrimidine

2-methyl-3-(pyrrolidin-3-ylmethyl)-6,7-dihydro-4H-pyrido[2,3-d]pyrimidine (PubChem CID 123277080) has the molecular formula C13H20N4 and a molecular weight of 232.33 g/mol. Its IUPAC name is 2-methyl-3-(pyrrolidin-3-ylmethyl)-6,7-dihydro-4H-pyrido[2,3-d]pyrimidine.

Molecular Properties

Compound Name2-methyl-3-(pyrrolidin-3-ylmethyl)-6,7-dihydro-4H-pyrido[2,3-d]pyrimidine
PubChem CID123277080
Molecular FormulaC13H20N4
Molecular Weight232.33 g/mol
Exact Mass232.17
IUPAC Name2-methyl-3-(pyrrolidin-3-ylmethyl)-6,7-dihydro-4H-pyrido[2,3-d]pyrimidine
SMILESCC1=NC2=NCCC=C2CN1CC1CCNC1
InChIInChI=1S/C13H20N4/c1-10-16-13-12(3-2-5-15-13)9-17(10)8-11-4-6-14-7-11/h3,11,14H,2,4-9H2,1H3
InChIKeyNJILHVNUSXMZOY-UHFFFAOYSA-N
XLogP1.06
TPSA39.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(pyrrolidin-3-ylmethyl)-6,7-dihydro-4H-pyrido[2,3-d]pyrimidine?
The IUPAC name of 2-methyl-3-(pyrrolidin-3-ylmethyl)-6,7-dihydro-4H-pyrido[2,3-d]pyrimidine (CID 123277080) is 2-methyl-3-(pyrrolidin-3-ylmethyl)-6,7-dihydro-4H-pyrido[2,3-d]pyrimidine.
What is the SMILES notation for 2-methyl-3-(pyrrolidin-3-ylmethyl)-6,7-dihydro-4H-pyrido[2,3-d]pyrimidine?
The canonical SMILES for 2-methyl-3-(pyrrolidin-3-ylmethyl)-6,7-dihydro-4H-pyrido[2,3-d]pyrimidine is CC1=NC2=NCCC=C2CN1CC1CCNC1.
What is the InChIKey of 2-methyl-3-(pyrrolidin-3-ylmethyl)-6,7-dihydro-4H-pyrido[2,3-d]pyrimidine?
The InChIKey is NJILHVNUSXMZOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4/c1-10-16-13-12(3-2-5-15-13)9-17(10)8-11-4-6-14-7-11/h3,11,14H,2,4-9H2,1H3.
What are the key properties of 2-methyl-3-(pyrrolidin-3-ylmethyl)-6,7-dihydro-4H-pyrido[2,3-d]pyrimidine?
2-methyl-3-(pyrrolidin-3-ylmethyl)-6,7-dihydro-4H-pyrido[2,3-d]pyrimidine has a molecular weight of 232.33 g/mol, XLogP of 1.06, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(pyrrolidin-3-ylmethyl)-6,7-dihydro-4H-pyrido[2,3-d]pyrimidine is sourced from PubChem (CID 123277080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).