2-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]acetonitrile

C15H17N5 — CID 80821858

IUPAC2-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]acetonitrile
SMILESCCNc1nc(C)cc(Nc2ccc(CC#N)cc2)n1
InChIInChI=1S/C15H17N5/c1-3-17-15-18-11(2)10-14(20-15)19-13-6-4-12(5-7-13)8-9-16/h4-7,10H,3,8H2,1-2H3,(H2,17,18,19,20)
InChIKeyZVQLFPNACCYVRS-UHFFFAOYSA-N
MW267.34 g/mol
LogP3.03
Rot. Bonds5

About 2-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]acetonitrile

2-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]acetonitrile (PubChem CID 80821858) has the molecular formula C15H17N5 and a molecular weight of 267.34 g/mol. Its IUPAC name is 2-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]acetonitrile.

Molecular Properties

Compound Name2-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]acetonitrile
PubChem CID80821858
Molecular FormulaC15H17N5
Molecular Weight267.34 g/mol
Exact Mass267.15
IUPAC Name2-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]acetonitrile
SMILESCCNc1nc(C)cc(Nc2ccc(CC#N)cc2)n1
InChIInChI=1S/C15H17N5/c1-3-17-15-18-11(2)10-14(20-15)19-13-6-4-12(5-7-13)8-9-16/h4-7,10H,3,8H2,1-2H3,(H2,17,18,19,20)
InChIKeyZVQLFPNACCYVRS-UHFFFAOYSA-N
XLogP3.03
TPSA73.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]acetonitrile with MolForge

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Related Compounds

4-N-[4-(dimethylamino)phenyl]-2-N-ethyl-6-methylpyrimidine-2,4-diamine
CID 80788974
2-[4-[2-(ethylamino)-6-methylpyrimidin-4-yl]oxyphenyl]acetonitrile
CID 80864396
4-[[4-(4-ethylanilino)-6-methylpyrimidin-2-yl]amino]benzonitrile
CID 112928708
4-[[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]methyl]benzonitrile
CID 80821850
2-[4-(ethylamino)phenyl]acetonitrile
CID 43229025
4-N-(4-ethylphenyl)-6-methyl-2-N-pentylpyrimidine-2,4-diamine
CID 112925498
6-methyl-4-N-(4-methylphenyl)-2-N-propylpyrimidine-2,4-diamine
CID 80762323
2-[4-[[4-[(5-cyclobutyl-1H-pyrazol-3-yl)amino]-6-methylpyrimidin-2-yl]amino]phenyl]acetonitrile
CID 45111333
4-N-(3,5-dimethoxyphenyl)-2-N-ethyl-6-methylpyrimidine-2,4-diamine
CID 80759200
4-N-(4-chlorophenyl)-2-N-[2-(4-chlorophenyl)ethyl]-6-methylpyrimidine-2,4-diamine
CID 112922682
N-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]-1,2-oxazole-5-carboxamide
CID 122325693
2-N-(4-bromophenyl)-4-N-(4-ethylphenyl)-6-methylpyrimidine-2,4-diamine
CID 112928671

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]acetonitrile?
The IUPAC name of 2-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]acetonitrile (CID 80821858) is 2-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]acetonitrile.
What is the SMILES notation for 2-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]acetonitrile?
The canonical SMILES for 2-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]acetonitrile is CCNc1nc(C)cc(Nc2ccc(CC#N)cc2)n1.
What is the InChIKey of 2-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]acetonitrile?
The InChIKey is ZVQLFPNACCYVRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5/c1-3-17-15-18-11(2)10-14(20-15)19-13-6-4-12(5-7-13)8-9-16/h4-7,10H,3,8H2,1-2H3,(H2,17,18,19,20).
What are the key properties of 2-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]acetonitrile?
2-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]acetonitrile has a molecular weight of 267.34 g/mol, XLogP of 3.03, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]acetonitrile is sourced from PubChem (CID 80821858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).