2-[butyl(pyrrolidin-2-ylmethyl)amino]-6-methylpyrimidine-4-carbonitrile

C15H23N5 — CID 107552777

IUPAC2-[butyl(pyrrolidin-2-ylmethyl)amino]-6-methylpyrimidine-4-carbonitrile
SMILESCCCCN(CC1CCCN1)c1nc(C)cc(C#N)n1
InChIInChI=1S/C15H23N5/c1-3-4-8-20(11-13-6-5-7-17-13)15-18-12(2)9-14(10-16)19-15/h9,13,17H,3-8,11H2,1-2H3
InChIKeyVTPNSQFVAKPQAY-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.02
Rot. Bonds6

About 2-[butyl(pyrrolidin-2-ylmethyl)amino]-6-methylpyrimidine-4-carbonitrile

2-[butyl(pyrrolidin-2-ylmethyl)amino]-6-methylpyrimidine-4-carbonitrile (PubChem CID 107552777) has the molecular formula C15H23N5 and a molecular weight of 273.38 g/mol. Its IUPAC name is 2-[butyl(pyrrolidin-2-ylmethyl)amino]-6-methylpyrimidine-4-carbonitrile.

Molecular Properties

Compound Name2-[butyl(pyrrolidin-2-ylmethyl)amino]-6-methylpyrimidine-4-carbonitrile
PubChem CID107552777
Molecular FormulaC15H23N5
Molecular Weight273.38 g/mol
Exact Mass273.20
IUPAC Name2-[butyl(pyrrolidin-2-ylmethyl)amino]-6-methylpyrimidine-4-carbonitrile
SMILESCCCCN(CC1CCCN1)c1nc(C)cc(C#N)n1
InChIInChI=1S/C15H23N5/c1-3-4-8-20(11-13-6-5-7-17-13)15-18-12(2)9-14(10-16)19-15/h9,13,17H,3-8,11H2,1-2H3
InChIKeyVTPNSQFVAKPQAY-UHFFFAOYSA-N
XLogP2.02
TPSA64.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[butyl(pyrrolidin-2-ylmethyl)amino]-6-methylpyrimidine-4-carbonitrile with MolForge

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

Launch Full Analysis

Related Compounds

N-butyl-4-ethoxy-6-methyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine
CID 106620371
4,6-dimethyl-N-(piperidin-2-ylmethyl)-N-propylpyrimidin-2-amine
CID 106642566
2-[propyl(pyrrolidin-2-ylmethyl)amino]pyrimidine-4-carbonitrile
CID 107552774
6-methyl-2-[piperidin-4-ylmethyl(propyl)amino]pyrimidine-4-carbonitrile
CID 107552637
N-butyl-4,6-dimethoxy-N-(pyrrolidin-2-ylmethyl)-1,3,5-triazin-2-amine
CID 106620394
4-[[butyl(pyrrolidin-2-ylmethyl)amino]methyl]pyridine-2-carbonitrile
CID 106616666
N,4,6-trimethyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine
CID 71641961
N-butyl-N-(pyrrolidin-2-ylmethyl)aniline
CID 64585394
2-[cyclopropyl(propyl)amino]-6-methylpyrimidine-4-carbonitrile
CID 107543618
N-(cyclopropylmethyl)-4-ethoxy-6-methyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine
CID 106620065
2-methyl-6-[2-methylpropyl(pyrrolidin-2-ylmethyl)amino]pyridine-4-carbonitrile
CID 106620650
2-[butyl(pyrrolidin-2-ylmethyl)amino]-6-methylsulfanylbenzonitrile
CID 106620311

Frequently Asked Questions

What is the IUPAC name of 2-[butyl(pyrrolidin-2-ylmethyl)amino]-6-methylpyrimidine-4-carbonitrile?
The IUPAC name of 2-[butyl(pyrrolidin-2-ylmethyl)amino]-6-methylpyrimidine-4-carbonitrile (CID 107552777) is 2-[butyl(pyrrolidin-2-ylmethyl)amino]-6-methylpyrimidine-4-carbonitrile.
What is the SMILES notation for 2-[butyl(pyrrolidin-2-ylmethyl)amino]-6-methylpyrimidine-4-carbonitrile?
The canonical SMILES for 2-[butyl(pyrrolidin-2-ylmethyl)amino]-6-methylpyrimidine-4-carbonitrile is CCCCN(CC1CCCN1)c1nc(C)cc(C#N)n1.
What is the InChIKey of 2-[butyl(pyrrolidin-2-ylmethyl)amino]-6-methylpyrimidine-4-carbonitrile?
The InChIKey is VTPNSQFVAKPQAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5/c1-3-4-8-20(11-13-6-5-7-17-13)15-18-12(2)9-14(10-16)19-15/h9,13,17H,3-8,11H2,1-2H3.
What are the key properties of 2-[butyl(pyrrolidin-2-ylmethyl)amino]-6-methylpyrimidine-4-carbonitrile?
2-[butyl(pyrrolidin-2-ylmethyl)amino]-6-methylpyrimidine-4-carbonitrile has a molecular weight of 273.38 g/mol, XLogP of 2.02, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl(pyrrolidin-2-ylmethyl)amino]-6-methylpyrimidine-4-carbonitrile is sourced from PubChem (CID 107552777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).