4-methylidene-8-propan-2-yl-3-(pyrrolidin-1-ylmethyl)pyrido[1,2-a]pyrimidine

C17H23N3 — CID 166703350

IUPAC4-methylidene-8-propan-2-yl-3-(pyrrolidin-1-ylmethyl)pyrido[1,2-a]pyrimidine
SMILESC=C1C(CN2CCCC2)=CN=C2C=C(C(C)C)C=CN12
InChIInChI=1S/C17H23N3/c1-13(2)15-6-9-20-14(3)16(11-18-17(20)10-15)12-19-7-4-5-8-19/h6,9-11,13H,3-5,7-8,12H2,1-2H3
InChIKeyGURZOAVDKCLKKE-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.30
Rot. Bonds3

About 4-methylidene-8-propan-2-yl-3-(pyrrolidin-1-ylmethyl)pyrido[1,2-a]pyrimidine

4-methylidene-8-propan-2-yl-3-(pyrrolidin-1-ylmethyl)pyrido[1,2-a]pyrimidine (PubChem CID 166703350) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is 4-methylidene-8-propan-2-yl-3-(pyrrolidin-1-ylmethyl)pyrido[1,2-a]pyrimidine.

Molecular Properties

Compound Name4-methylidene-8-propan-2-yl-3-(pyrrolidin-1-ylmethyl)pyrido[1,2-a]pyrimidine
PubChem CID166703350
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC Name4-methylidene-8-propan-2-yl-3-(pyrrolidin-1-ylmethyl)pyrido[1,2-a]pyrimidine
SMILESC=C1C(CN2CCCC2)=CN=C2C=C(C(C)C)C=CN12
InChIInChI=1S/C17H23N3/c1-13(2)15-6-9-20-14(3)16(11-18-17(20)10-15)12-19-7-4-5-8-19/h6,9-11,13H,3-5,7-8,12H2,1-2H3
InChIKeyGURZOAVDKCLKKE-UHFFFAOYSA-N
XLogP3.30
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-methylidene-8-propan-2-yl-3-(pyrrolidin-1-ylmethyl)pyrido[1,2-a]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-methylidene-8-propan-2-yl-3-(pyrrolidin-1-ylmethyl)pyrido[1,2-a]pyrimidine?
The IUPAC name of 4-methylidene-8-propan-2-yl-3-(pyrrolidin-1-ylmethyl)pyrido[1,2-a]pyrimidine (CID 166703350) is 4-methylidene-8-propan-2-yl-3-(pyrrolidin-1-ylmethyl)pyrido[1,2-a]pyrimidine.
What is the SMILES notation for 4-methylidene-8-propan-2-yl-3-(pyrrolidin-1-ylmethyl)pyrido[1,2-a]pyrimidine?
The canonical SMILES for 4-methylidene-8-propan-2-yl-3-(pyrrolidin-1-ylmethyl)pyrido[1,2-a]pyrimidine is C=C1C(CN2CCCC2)=CN=C2C=C(C(C)C)C=CN12.
What is the InChIKey of 4-methylidene-8-propan-2-yl-3-(pyrrolidin-1-ylmethyl)pyrido[1,2-a]pyrimidine?
The InChIKey is GURZOAVDKCLKKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-13(2)15-6-9-20-14(3)16(11-18-17(20)10-15)12-19-7-4-5-8-19/h6,9-11,13H,3-5,7-8,12H2,1-2H3.
What are the key properties of 4-methylidene-8-propan-2-yl-3-(pyrrolidin-1-ylmethyl)pyrido[1,2-a]pyrimidine?
4-methylidene-8-propan-2-yl-3-(pyrrolidin-1-ylmethyl)pyrido[1,2-a]pyrimidine has a molecular weight of 269.39 g/mol, XLogP of 3.30, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylidene-8-propan-2-yl-3-(pyrrolidin-1-ylmethyl)pyrido[1,2-a]pyrimidine is sourced from PubChem (CID 166703350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).