6-N-ethyl-4-N-methyl-2-phenyl-4-N-propan-2-ylpyrimidine-4,6-diamine

C16H22N4 — CID 115915212

IUPAC6-N-ethyl-4-N-methyl-2-phenyl-4-N-propan-2-ylpyrimidine-4,6-diamine
SMILESCCNc1cc(N(C)C(C)C)nc(-c2ccccc2)n1
InChIInChI=1S/C16H22N4/c1-5-17-14-11-15(20(4)12(2)3)19-16(18-14)13-9-7-6-8-10-13/h6-12H,5H2,1-4H3,(H,17,18,19)
InChIKeyXGAAGLKFGFUJGL-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.42
Rot. Bonds5

About 6-N-ethyl-4-N-methyl-2-phenyl-4-N-propan-2-ylpyrimidine-4,6-diamine

6-N-ethyl-4-N-methyl-2-phenyl-4-N-propan-2-ylpyrimidine-4,6-diamine (PubChem CID 115915212) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is 6-N-ethyl-4-N-methyl-2-phenyl-4-N-propan-2-ylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-ethyl-4-N-methyl-2-phenyl-4-N-propan-2-ylpyrimidine-4,6-diamine
PubChem CID115915212
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC Name6-N-ethyl-4-N-methyl-2-phenyl-4-N-propan-2-ylpyrimidine-4,6-diamine
SMILESCCNc1cc(N(C)C(C)C)nc(-c2ccccc2)n1
InChIInChI=1S/C16H22N4/c1-5-17-14-11-15(20(4)12(2)3)19-16(18-14)13-9-7-6-8-10-13/h6-12H,5H2,1-4H3,(H,17,18,19)
InChIKeyXGAAGLKFGFUJGL-UHFFFAOYSA-N
XLogP3.42
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-2-phenyl-6-propan-2-ylpyrimidin-4-amine
CID 62191461
6-N-ethyl-4-N-(3-methylbutan-2-yl)-2-phenylpyrimidine-4,6-diamine
CID 115915170
4-N,4-N-diethyl-6-N-(2-methylpropyl)-2-phenylpyrimidine-4,6-diamine
CID 112879814
4-N-(1-methoxypropan-2-yl)-4-N,6-N-dimethyl-2-phenylpyrimidine-4,6-diamine
CID 115915445
4-N-ethyl-2-phenylpyrimidine-4,6-diamine
CID 112559773
4-N-(2,2-difluoroethyl)-6-N-ethyl-2-phenylpyrimidine-4,6-diamine
CID 115915739
6-[2-(dimethylamino)ethylsulfanyl]-N-ethyl-2-phenylpyrimidin-4-amine
CID 115916084
4-N,4-N-diethyl-2-phenyl-6-N-propylpyrimidine-4,6-diamine
CID 112879230
6-N-ethyl-2-phenyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
CID 115915258
6-N-butan-2-yl-4-N-butyl-4-N-methyl-2-phenylpyrimidine-4,6-diamine
CID 112879896
4-N-benzyl-6-N-[2-(dimethylamino)ethyl]-4-N-methyl-2-phenylpyrimidine-4,6-diamine
CID 112880706
N-ethyl-6-hydrazinyl-N-(2-methylpropyl)-2-phenylpyrimidin-4-amine
CID 115916099

Frequently Asked Questions

What is the IUPAC name of 6-N-ethyl-4-N-methyl-2-phenyl-4-N-propan-2-ylpyrimidine-4,6-diamine?
The IUPAC name of 6-N-ethyl-4-N-methyl-2-phenyl-4-N-propan-2-ylpyrimidine-4,6-diamine (CID 115915212) is 6-N-ethyl-4-N-methyl-2-phenyl-4-N-propan-2-ylpyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-ethyl-4-N-methyl-2-phenyl-4-N-propan-2-ylpyrimidine-4,6-diamine?
The canonical SMILES for 6-N-ethyl-4-N-methyl-2-phenyl-4-N-propan-2-ylpyrimidine-4,6-diamine is CCNc1cc(N(C)C(C)C)nc(-c2ccccc2)n1.
What is the InChIKey of 6-N-ethyl-4-N-methyl-2-phenyl-4-N-propan-2-ylpyrimidine-4,6-diamine?
The InChIKey is XGAAGLKFGFUJGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-5-17-14-11-15(20(4)12(2)3)19-16(18-14)13-9-7-6-8-10-13/h6-12H,5H2,1-4H3,(H,17,18,19).
What are the key properties of 6-N-ethyl-4-N-methyl-2-phenyl-4-N-propan-2-ylpyrimidine-4,6-diamine?
6-N-ethyl-4-N-methyl-2-phenyl-4-N-propan-2-ylpyrimidine-4,6-diamine has a molecular weight of 270.38 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-ethyl-4-N-methyl-2-phenyl-4-N-propan-2-ylpyrimidine-4,6-diamine is sourced from PubChem (CID 115915212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).