2-[cyclopropyl(propyl)amino]-6-methylpyrimidine-4-carbonitrile

C12H16N4 — CID 107543618

IUPAC2-[cyclopropyl(propyl)amino]-6-methylpyrimidine-4-carbonitrile
SMILESCCCN(c1nc(C)cc(C#N)n1)C1CC1
InChIInChI=1S/C12H16N4/c1-3-6-16(11-4-5-11)12-14-9(2)7-10(8-13)15-12/h7,11H,3-6H2,1-2H3
InChIKeyAAIJUSUCCQQQJX-UHFFFAOYSA-N
MW216.29 g/mol
LogP2.04
Rot. Bonds4

About 2-[cyclopropyl(propyl)amino]-6-methylpyrimidine-4-carbonitrile

2-[cyclopropyl(propyl)amino]-6-methylpyrimidine-4-carbonitrile (PubChem CID 107543618) has the molecular formula C12H16N4 and a molecular weight of 216.29 g/mol. Its IUPAC name is 2-[cyclopropyl(propyl)amino]-6-methylpyrimidine-4-carbonitrile.

Molecular Properties

Compound Name2-[cyclopropyl(propyl)amino]-6-methylpyrimidine-4-carbonitrile
PubChem CID107543618
Molecular FormulaC12H16N4
Molecular Weight216.29 g/mol
Exact Mass216.14
IUPAC Name2-[cyclopropyl(propyl)amino]-6-methylpyrimidine-4-carbonitrile
SMILESCCCN(c1nc(C)cc(C#N)n1)C1CC1
InChIInChI=1S/C12H16N4/c1-3-6-16(11-4-5-11)12-14-9(2)7-10(8-13)15-12/h7,11H,3-6H2,1-2H3
InChIKeyAAIJUSUCCQQQJX-UHFFFAOYSA-N
XLogP2.04
TPSA52.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.29
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[cyclopentyl(ethyl)amino]-6-methylpyrimidine-4-carbonitrile
CID 107543687
6-methyl-2-[piperidin-4-ylmethyl(propyl)amino]pyrimidine-4-carbonitrile
CID 107552637
2-[[2-(aminomethyl)cyclopentyl]-ethylamino]-6-methylpyrimidine-4-carbonitrile
CID 107552593
2-[cyclopropyl(propyl)amino]-6-methylpyrimidine-4-carboximidamide
CID 107550138
2-[(4,4-dimethylcyclohexyl)-methylamino]-6-methylpyrimidine-4-carbonitrile
CID 107544849
2-[butyl(pyrrolidin-2-ylmethyl)amino]-6-methylpyrimidine-4-carbonitrile
CID 107552777
2-[cyclopropylmethyl(propan-2-yl)amino]-6-methylpyrimidine-4-carbonitrile
CID 107544097
2-[ethyl(propan-2-yl)amino]-6-methylpyrimidine-4-carbonitrile
CID 107543609
4-[(4-cyano-6-methylpyrimidin-2-yl)-ethylamino]oxolane-3-carboxylic acid
CID 107543056
6-methyl-2-[methyl(piperidin-4-ylmethyl)amino]pyrimidine-4-carbonitrile
CID 107552634
2-[ethyl(2-methoxyethyl)amino]-6-methylpyrimidine-4-carbonitrile
CID 107543890
N-(2-chloroethyl)-N-cyclohexyl-4,6-dimethylpyrimidin-2-amine
CID 55183880

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(propyl)amino]-6-methylpyrimidine-4-carbonitrile?
The IUPAC name of 2-[cyclopropyl(propyl)amino]-6-methylpyrimidine-4-carbonitrile (CID 107543618) is 2-[cyclopropyl(propyl)amino]-6-methylpyrimidine-4-carbonitrile.
What is the SMILES notation for 2-[cyclopropyl(propyl)amino]-6-methylpyrimidine-4-carbonitrile?
The canonical SMILES for 2-[cyclopropyl(propyl)amino]-6-methylpyrimidine-4-carbonitrile is CCCN(c1nc(C)cc(C#N)n1)C1CC1.
What is the InChIKey of 2-[cyclopropyl(propyl)amino]-6-methylpyrimidine-4-carbonitrile?
The InChIKey is AAIJUSUCCQQQJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4/c1-3-6-16(11-4-5-11)12-14-9(2)7-10(8-13)15-12/h7,11H,3-6H2,1-2H3.
What are the key properties of 2-[cyclopropyl(propyl)amino]-6-methylpyrimidine-4-carbonitrile?
2-[cyclopropyl(propyl)amino]-6-methylpyrimidine-4-carbonitrile has a molecular weight of 216.29 g/mol, XLogP of 2.04, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(propyl)amino]-6-methylpyrimidine-4-carbonitrile is sourced from PubChem (CID 107543618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).