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

C11H16N4 — CID 107543609

IUPAC2-[ethyl(propan-2-yl)amino]-6-methylpyrimidine-4-carbonitrile
SMILESCCN(c1nc(C)cc(C#N)n1)C(C)C
InChIInChI=1S/C11H16N4/c1-5-15(8(2)3)11-13-9(4)6-10(7-12)14-11/h6,8H,5H2,1-4H3
InChIKeyASXFFYIVGMMUSE-UHFFFAOYSA-N
MW204.28 g/mol
LogP1.89
Rot. Bonds3

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

2-[ethyl(propan-2-yl)amino]-6-methylpyrimidine-4-carbonitrile (PubChem CID 107543609) has the molecular formula C11H16N4 and a molecular weight of 204.28 g/mol. Its IUPAC name is 2-[ethyl(propan-2-yl)amino]-6-methylpyrimidine-4-carbonitrile.

Molecular Properties

Compound Name2-[ethyl(propan-2-yl)amino]-6-methylpyrimidine-4-carbonitrile
PubChem CID107543609
Molecular FormulaC11H16N4
Molecular Weight204.28 g/mol
Exact Mass204.14
IUPAC Name2-[ethyl(propan-2-yl)amino]-6-methylpyrimidine-4-carbonitrile
SMILESCCN(c1nc(C)cc(C#N)n1)C(C)C
InChIInChI=1S/C11H16N4/c1-5-15(8(2)3)11-13-9(4)6-10(7-12)14-11/h6,8H,5H2,1-4H3
InChIKeyASXFFYIVGMMUSE-UHFFFAOYSA-N
XLogP1.89
TPSA52.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.28
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-cyano-6-methylpyrimidin-2-yl)-ethylamino]butanoic acid
CID 107542951
2-[cyclopropylmethyl(propan-2-yl)amino]-6-methylpyrimidine-4-carbonitrile
CID 107544097
6-methyl-2-[piperidin-4-ylmethyl(propan-2-yl)amino]pyrimidine-4-carbonitrile
CID 107552639
2-[ethyl(prop-2-enyl)amino]-6-methylpyrimidine-4-carbonitrile
CID 107544983
2-[ethyl(2-methoxyethyl)amino]-6-methylpyrimidine-4-carbonitrile
CID 107543890
2-[cyclopentyl(ethyl)amino]-6-methylpyrimidine-4-carbonitrile
CID 107543687
6-[ethyl(propan-2-yl)amino]pyrimidine-4-carbonitrile
CID 130173843
2-[2-ethoxyethyl(ethyl)amino]-6-methylpyrimidine-4-carbonitrile
CID 107544526
2-[(4-cyano-6-methylpyrimidin-2-yl)-methylamino]butanoic acid
CID 107542920
ethyl 2-[(4-cyano-6-methylpyrimidin-2-yl)-ethylamino]acetate
CID 107544090
2-[(4-cyano-6-methylpyrimidin-2-yl)-methylamino]propanoic acid
CID 107542940
2-[cyclopropyl(propyl)amino]-6-methylpyrimidine-4-carbonitrile
CID 107543618

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(propan-2-yl)amino]-6-methylpyrimidine-4-carbonitrile?
The IUPAC name of 2-[ethyl(propan-2-yl)amino]-6-methylpyrimidine-4-carbonitrile (CID 107543609) is 2-[ethyl(propan-2-yl)amino]-6-methylpyrimidine-4-carbonitrile.
What is the SMILES notation for 2-[ethyl(propan-2-yl)amino]-6-methylpyrimidine-4-carbonitrile?
The canonical SMILES for 2-[ethyl(propan-2-yl)amino]-6-methylpyrimidine-4-carbonitrile is CCN(c1nc(C)cc(C#N)n1)C(C)C.
What is the InChIKey of 2-[ethyl(propan-2-yl)amino]-6-methylpyrimidine-4-carbonitrile?
The InChIKey is ASXFFYIVGMMUSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4/c1-5-15(8(2)3)11-13-9(4)6-10(7-12)14-11/h6,8H,5H2,1-4H3.
What are the key properties of 2-[ethyl(propan-2-yl)amino]-6-methylpyrimidine-4-carbonitrile?
2-[ethyl(propan-2-yl)amino]-6-methylpyrimidine-4-carbonitrile has a molecular weight of 204.28 g/mol, XLogP of 1.89, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(propan-2-yl)amino]-6-methylpyrimidine-4-carbonitrile is sourced from PubChem (CID 107543609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).