2-methylidene-1-propan-2-yl-4-pyrrolidin-1-ylpyrimidine

C12H19N3 — CID 58337024

IUPAC2-methylidene-1-propan-2-yl-4-pyrrolidin-1-ylpyrimidine
SMILESC=C1N=C(N2CCCC2)C=CN1C(C)C
InChIInChI=1S/C12H19N3/c1-10(2)15-9-6-12(13-11(15)3)14-7-4-5-8-14/h6,9-10H,3-5,7-8H2,1-2H3
InChIKeyFYMJTLWTZZCPPM-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.19
Rot. Bonds1

About 2-methylidene-1-propan-2-yl-4-pyrrolidin-1-ylpyrimidine

2-methylidene-1-propan-2-yl-4-pyrrolidin-1-ylpyrimidine (PubChem CID 58337024) has the molecular formula C12H19N3 and a molecular weight of 205.30 g/mol. Its IUPAC name is 2-methylidene-1-propan-2-yl-4-pyrrolidin-1-ylpyrimidine.

Molecular Properties

Compound Name2-methylidene-1-propan-2-yl-4-pyrrolidin-1-ylpyrimidine
PubChem CID58337024
Molecular FormulaC12H19N3
Molecular Weight205.30 g/mol
Exact Mass205.16
IUPAC Name2-methylidene-1-propan-2-yl-4-pyrrolidin-1-ylpyrimidine
SMILESC=C1N=C(N2CCCC2)C=CN1C(C)C
InChIInChI=1S/C12H19N3/c1-10(2)15-9-6-12(13-11(15)3)14-7-4-5-8-14/h6,9-10H,3-5,7-8H2,1-2H3
InChIKeyFYMJTLWTZZCPPM-UHFFFAOYSA-N
XLogP2.19
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-methylidene-1-propan-2-yl-4-pyrrolidin-1-ylpyrimidine 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 2-methylidene-1-propan-2-yl-4-pyrrolidin-1-ylpyrimidine?
The IUPAC name of 2-methylidene-1-propan-2-yl-4-pyrrolidin-1-ylpyrimidine (CID 58337024) is 2-methylidene-1-propan-2-yl-4-pyrrolidin-1-ylpyrimidine.
What is the SMILES notation for 2-methylidene-1-propan-2-yl-4-pyrrolidin-1-ylpyrimidine?
The canonical SMILES for 2-methylidene-1-propan-2-yl-4-pyrrolidin-1-ylpyrimidine is C=C1N=C(N2CCCC2)C=CN1C(C)C.
What is the InChIKey of 2-methylidene-1-propan-2-yl-4-pyrrolidin-1-ylpyrimidine?
The InChIKey is FYMJTLWTZZCPPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3/c1-10(2)15-9-6-12(13-11(15)3)14-7-4-5-8-14/h6,9-10H,3-5,7-8H2,1-2H3.
What are the key properties of 2-methylidene-1-propan-2-yl-4-pyrrolidin-1-ylpyrimidine?
2-methylidene-1-propan-2-yl-4-pyrrolidin-1-ylpyrimidine has a molecular weight of 205.30 g/mol, XLogP of 2.19, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidene-1-propan-2-yl-4-pyrrolidin-1-ylpyrimidine is sourced from PubChem (CID 58337024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).