6-methyl-2-[1-(4-methylphenoxy)propan-2-ylamino]pyrimidine-4-carbonitrile

C16H18N4O — CID 107551984

IUPAC6-methyl-2-[1-(4-methylphenoxy)propan-2-ylamino]pyrimidine-4-carbonitrile
SMILESCc1ccc(OCC(C)Nc2nc(C)cc(C#N)n2)cc1
InChIInChI=1S/C16H18N4O/c1-11-4-6-15(7-5-11)21-10-13(3)19-16-18-12(2)8-14(9-17)20-16/h4-8,13H,10H2,1-3H3,(H,18,19,20)
InChIKeyCRFSWAYBVWUIII-UHFFFAOYSA-N
MW282.35 g/mol
LogP2.84
Rot. Bonds5

About 6-methyl-2-[1-(4-methylphenoxy)propan-2-ylamino]pyrimidine-4-carbonitrile

6-methyl-2-[1-(4-methylphenoxy)propan-2-ylamino]pyrimidine-4-carbonitrile (PubChem CID 107551984) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is 6-methyl-2-[1-(4-methylphenoxy)propan-2-ylamino]pyrimidine-4-carbonitrile.

Molecular Properties

Compound Name6-methyl-2-[1-(4-methylphenoxy)propan-2-ylamino]pyrimidine-4-carbonitrile
PubChem CID107551984
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC Name6-methyl-2-[1-(4-methylphenoxy)propan-2-ylamino]pyrimidine-4-carbonitrile
SMILESCc1ccc(OCC(C)Nc2nc(C)cc(C#N)n2)cc1
InChIInChI=1S/C16H18N4O/c1-11-4-6-15(7-5-11)21-10-13(3)19-16-18-12(2)8-14(9-17)20-16/h4-8,13H,10H2,1-3H3,(H,18,19,20)
InChIKeyCRFSWAYBVWUIII-UHFFFAOYSA-N
XLogP2.84
TPSA70.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-2-[1-(4-methylphenoxy)propan-2-ylamino]benzonitrile
CID 107931272
4-ethoxy-N-[1-(4-methylphenoxy)propan-2-yl]pyrimidin-2-amine
CID 115974641
2-[(2-hydroxy-1-phenylethyl)amino]-6-methylpyrimidine-4-carbonitrile
CID 107552024
2-(hexan-3-ylamino)-6-methylpyrimidine-4-carbonitrile
CID 107544278
(2R)-2-[(4-cyano-6-methylpyrimidin-2-yl)amino]-4-methylpentanoic acid
CID 122049258
2-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]-6-methylpyrimidine-4-carbonitrile
CID 107544009
6-methyl-2-(2-methylbutan-2-ylamino)pyrimidine-4-carbonitrile
CID 107543261
2-(3-butan-2-yloxyanilino)-6-methylpyrimidine-4-carbonitrile
CID 107544314
methyl 2-[(4-cyano-6-methylpyrimidin-2-yl)amino]-2-phenylacetate
CID 107542928
2-[3-(hydroxymethyl)pentan-3-ylamino]-6-methylpyrimidine-4-carbonitrile
CID 107552017
N-[1-(4-methylphenoxy)propan-2-yl]-1,3-thiazol-2-amine
CID 61166762
5-methyl-N-[1-(4-methylphenoxy)propan-2-yl]-1,3,4-thiadiazol-2-amine
CID 65209436

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[1-(4-methylphenoxy)propan-2-ylamino]pyrimidine-4-carbonitrile?
The IUPAC name of 6-methyl-2-[1-(4-methylphenoxy)propan-2-ylamino]pyrimidine-4-carbonitrile (CID 107551984) is 6-methyl-2-[1-(4-methylphenoxy)propan-2-ylamino]pyrimidine-4-carbonitrile.
What is the SMILES notation for 6-methyl-2-[1-(4-methylphenoxy)propan-2-ylamino]pyrimidine-4-carbonitrile?
The canonical SMILES for 6-methyl-2-[1-(4-methylphenoxy)propan-2-ylamino]pyrimidine-4-carbonitrile is Cc1ccc(OCC(C)Nc2nc(C)cc(C#N)n2)cc1.
What is the InChIKey of 6-methyl-2-[1-(4-methylphenoxy)propan-2-ylamino]pyrimidine-4-carbonitrile?
The InChIKey is CRFSWAYBVWUIII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c1-11-4-6-15(7-5-11)21-10-13(3)19-16-18-12(2)8-14(9-17)20-16/h4-8,13H,10H2,1-3H3,(H,18,19,20).
What are the key properties of 6-methyl-2-[1-(4-methylphenoxy)propan-2-ylamino]pyrimidine-4-carbonitrile?
6-methyl-2-[1-(4-methylphenoxy)propan-2-ylamino]pyrimidine-4-carbonitrile has a molecular weight of 282.35 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[1-(4-methylphenoxy)propan-2-ylamino]pyrimidine-4-carbonitrile is sourced from PubChem (CID 107551984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).