2-[cyclopropylmethyl(propan-2-yl)amino]-6-methylpyrimidine-4-carbonitrile

C13H18N4 — CID 107544097

IUPAC2-[cyclopropylmethyl(propan-2-yl)amino]-6-methylpyrimidine-4-carbonitrile
SMILESCc1cc(C#N)nc(N(CC2CC2)C(C)C)n1
InChIInChI=1S/C13H18N4/c1-9(2)17(8-11-4-5-11)13-15-10(3)6-12(7-14)16-13/h6,9,11H,4-5,8H2,1-3H3
InChIKeyFHAYBLUKDCAGIU-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.28
Rot. Bonds4

About 2-[cyclopropylmethyl(propan-2-yl)amino]-6-methylpyrimidine-4-carbonitrile

2-[cyclopropylmethyl(propan-2-yl)amino]-6-methylpyrimidine-4-carbonitrile (PubChem CID 107544097) has the molecular formula C13H18N4 and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-[cyclopropylmethyl(propan-2-yl)amino]-6-methylpyrimidine-4-carbonitrile.

Molecular Properties

Compound Name2-[cyclopropylmethyl(propan-2-yl)amino]-6-methylpyrimidine-4-carbonitrile
PubChem CID107544097
Molecular FormulaC13H18N4
Molecular Weight230.31 g/mol
Exact Mass230.15
IUPAC Name2-[cyclopropylmethyl(propan-2-yl)amino]-6-methylpyrimidine-4-carbonitrile
SMILESCc1cc(C#N)nc(N(CC2CC2)C(C)C)n1
InChIInChI=1S/C13H18N4/c1-9(2)17(8-11-4-5-11)13-15-10(3)6-12(7-14)16-13/h6,9,11H,4-5,8H2,1-3H3
InChIKeyFHAYBLUKDCAGIU-UHFFFAOYSA-N
XLogP2.28
TPSA52.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-methyl-2-[piperidin-4-ylmethyl(propan-2-yl)amino]pyrimidine-4-carbonitrile
CID 107552639
2-[ethyl(propan-2-yl)amino]-6-methylpyrimidine-4-carbonitrile
CID 107543609
6-methyl-2-[methyl(piperidin-4-ylmethyl)amino]pyrimidine-4-carbonitrile
CID 107552634
6-methyl-2-[piperidin-4-ylmethyl(propyl)amino]pyrimidine-4-carbonitrile
CID 107552637
2-[(4,4-dimethylcyclohexyl)-methylamino]-6-methylpyrimidine-4-carbonitrile
CID 107544849
2-[cyclopropyl(propyl)amino]-6-methylpyrimidine-4-carbonitrile
CID 107543618
2-[cyclopentyl(ethyl)amino]-6-methylpyrimidine-4-carbonitrile
CID 107543687
3-[(4-cyano-6-methylpyrimidin-2-yl)-ethylamino]butanoic acid
CID 107542951
N-(cyclopropylmethyl)-4,6-dimethyl-3-(methylaminomethyl)-N-propan-2-ylpyridin-2-amine
CID 62289059
2-[cyclopropylmethyl(propan-2-yl)amino]quinoline-4-carbonitrile
CID 63885853
2-(cyclopentylmethoxy)-6-methylpyrimidine-4-carbonitrile
CID 107545986
4-N-(cyclopropylmethyl)-2-N-ethyl-6-methyl-4-N-propan-2-ylpyrimidine-2,4-diamine
CID 80821555

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropylmethyl(propan-2-yl)amino]-6-methylpyrimidine-4-carbonitrile?
The IUPAC name of 2-[cyclopropylmethyl(propan-2-yl)amino]-6-methylpyrimidine-4-carbonitrile (CID 107544097) is 2-[cyclopropylmethyl(propan-2-yl)amino]-6-methylpyrimidine-4-carbonitrile.
What is the SMILES notation for 2-[cyclopropylmethyl(propan-2-yl)amino]-6-methylpyrimidine-4-carbonitrile?
The canonical SMILES for 2-[cyclopropylmethyl(propan-2-yl)amino]-6-methylpyrimidine-4-carbonitrile is Cc1cc(C#N)nc(N(CC2CC2)C(C)C)n1.
What is the InChIKey of 2-[cyclopropylmethyl(propan-2-yl)amino]-6-methylpyrimidine-4-carbonitrile?
The InChIKey is FHAYBLUKDCAGIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4/c1-9(2)17(8-11-4-5-11)13-15-10(3)6-12(7-14)16-13/h6,9,11H,4-5,8H2,1-3H3.
What are the key properties of 2-[cyclopropylmethyl(propan-2-yl)amino]-6-methylpyrimidine-4-carbonitrile?
2-[cyclopropylmethyl(propan-2-yl)amino]-6-methylpyrimidine-4-carbonitrile has a molecular weight of 230.31 g/mol, XLogP of 2.28, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropylmethyl(propan-2-yl)amino]-6-methylpyrimidine-4-carbonitrile is sourced from PubChem (CID 107544097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).