3-[(6-amino-2-ethyl-5-methylpyrimidin-4-yl)amino]-4-methylbenzonitrile

C15H17N5 — CID 80982732

IUPAC3-[(6-amino-2-ethyl-5-methylpyrimidin-4-yl)amino]-4-methylbenzonitrile
SMILESCCc1nc(N)c(C)c(Nc2cc(C#N)ccc2C)n1
InChIInChI=1S/C15H17N5/c1-4-13-19-14(17)10(3)15(20-13)18-12-7-11(8-16)6-5-9(12)2/h5-7H,4H2,1-3H3,(H3,17,18,19,20)
InChIKeyMMLLWTFNNFSZTD-UHFFFAOYSA-N
MW267.34 g/mol
LogP2.85
Rot. Bonds3

About 3-[(6-amino-2-ethyl-5-methylpyrimidin-4-yl)amino]-4-methylbenzonitrile

3-[(6-amino-2-ethyl-5-methylpyrimidin-4-yl)amino]-4-methylbenzonitrile (PubChem CID 80982732) has the molecular formula C15H17N5 and a molecular weight of 267.34 g/mol. Its IUPAC name is 3-[(6-amino-2-ethyl-5-methylpyrimidin-4-yl)amino]-4-methylbenzonitrile.

Molecular Properties

Compound Name3-[(6-amino-2-ethyl-5-methylpyrimidin-4-yl)amino]-4-methylbenzonitrile
PubChem CID80982732
Molecular FormulaC15H17N5
Molecular Weight267.34 g/mol
Exact Mass267.15
IUPAC Name3-[(6-amino-2-ethyl-5-methylpyrimidin-4-yl)amino]-4-methylbenzonitrile
SMILESCCc1nc(N)c(C)c(Nc2cc(C#N)ccc2C)n1
InChIInChI=1S/C15H17N5/c1-4-13-19-14(17)10(3)15(20-13)18-12-7-11(8-16)6-5-9(12)2/h5-7H,4H2,1-3H3,(H3,17,18,19,20)
InChIKeyMMLLWTFNNFSZTD-UHFFFAOYSA-N
XLogP2.85
TPSA87.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(6-amino-5-methyl-2-propylpyrimidin-4-yl)amino]-4-chlorobenzonitrile
CID 80991950
4-N-[3-(dimethylamino)-4-methylphenyl]-2-ethyl-5-methylpyrimidine-4,6-diamine
CID 115379692
3-[(6-amino-5-propylpyrimidin-4-yl)amino]-4-methylbenzonitrile
CID 80822866
4-N-(2-bromo-5-methylphenyl)-2-ethyl-5-methylpyrimidine-4,6-diamine
CID 82758799
4-N-(3-chloro-4-methylphenyl)-2-ethyl-5-methylpyrimidine-4,6-diamine
CID 80976447
4-N-(2,5-difluorophenyl)-2-ethyl-5-methylpyrimidine-4,6-diamine
CID 80976181
3-[(3-amino-6-chloro-2-pyridinyl)amino]-4-methylbenzonitrile
CID 115474055
3-[(5-aminopyrimidin-4-yl)amino]-4-methylbenzonitrile
CID 79917359
3-[[5-ethyl-6-(methylamino)pyrimidin-4-yl]amino]-4-methylbenzonitrile
CID 80822377
4-N-(4-bromo-2-chlorophenyl)-2-ethyl-5-methylpyrimidine-4,6-diamine
CID 80994019
4-N-(2,5-dimethylphenyl)-2,5-dimethylpyrimidine-4,6-diamine
CID 80763496
4-N-(2,5-dimethylphenyl)-2-ethyl-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80977275

Frequently Asked Questions

What is the IUPAC name of 3-[(6-amino-2-ethyl-5-methylpyrimidin-4-yl)amino]-4-methylbenzonitrile?
The IUPAC name of 3-[(6-amino-2-ethyl-5-methylpyrimidin-4-yl)amino]-4-methylbenzonitrile (CID 80982732) is 3-[(6-amino-2-ethyl-5-methylpyrimidin-4-yl)amino]-4-methylbenzonitrile.
What is the SMILES notation for 3-[(6-amino-2-ethyl-5-methylpyrimidin-4-yl)amino]-4-methylbenzonitrile?
The canonical SMILES for 3-[(6-amino-2-ethyl-5-methylpyrimidin-4-yl)amino]-4-methylbenzonitrile is CCc1nc(N)c(C)c(Nc2cc(C#N)ccc2C)n1.
What is the InChIKey of 3-[(6-amino-2-ethyl-5-methylpyrimidin-4-yl)amino]-4-methylbenzonitrile?
The InChIKey is MMLLWTFNNFSZTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5/c1-4-13-19-14(17)10(3)15(20-13)18-12-7-11(8-16)6-5-9(12)2/h5-7H,4H2,1-3H3,(H3,17,18,19,20).
What are the key properties of 3-[(6-amino-2-ethyl-5-methylpyrimidin-4-yl)amino]-4-methylbenzonitrile?
3-[(6-amino-2-ethyl-5-methylpyrimidin-4-yl)amino]-4-methylbenzonitrile has a molecular weight of 267.34 g/mol, XLogP of 2.85, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-amino-2-ethyl-5-methylpyrimidin-4-yl)amino]-4-methylbenzonitrile is sourced from PubChem (CID 80982732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).