N-(2-ethyl-3-phenyl-2H-pyrrol-5-yl)-6-methyl-2-phenylpyrimidin-4-amine

C23H22N4 — CID 147189090

IUPACN-(2-ethyl-3-phenyl-2H-pyrrol-5-yl)-6-methyl-2-phenylpyrimidin-4-amine
SMILESCCC1N=C(Nc2cc(C)nc(-c3ccccc3)n2)C=C1c1ccccc1
InChIInChI=1S/C23H22N4/c1-3-20-19(17-10-6-4-7-11-17)15-22(25-20)26-21-14-16(2)24-23(27-21)18-12-8-5-9-13-18/h4-15,20H,3H2,1-2H3,(H,24,25,26,27)
InChIKeyCBBWIGCNBUMSBD-UHFFFAOYSA-N
MW354.46 g/mol
LogP5.14
Rot. Bonds4

About N-(2-ethyl-3-phenyl-2H-pyrrol-5-yl)-6-methyl-2-phenylpyrimidin-4-amine

N-(2-ethyl-3-phenyl-2H-pyrrol-5-yl)-6-methyl-2-phenylpyrimidin-4-amine (PubChem CID 147189090) has the molecular formula C23H22N4 and a molecular weight of 354.46 g/mol. Its IUPAC name is N-(2-ethyl-3-phenyl-2H-pyrrol-5-yl)-6-methyl-2-phenylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-ethyl-3-phenyl-2H-pyrrol-5-yl)-6-methyl-2-phenylpyrimidin-4-amine
PubChem CID147189090
Molecular FormulaC23H22N4
Molecular Weight354.46 g/mol
Exact Mass354.18
IUPAC NameN-(2-ethyl-3-phenyl-2H-pyrrol-5-yl)-6-methyl-2-phenylpyrimidin-4-amine
SMILESCCC1N=C(Nc2cc(C)nc(-c3ccccc3)n2)C=C1c1ccccc1
InChIInChI=1S/C23H22N4/c1-3-20-19(17-10-6-4-7-11-17)15-22(25-20)26-21-14-16(2)24-23(27-21)18-12-8-5-9-13-18/h4-15,20H,3H2,1-2H3,(H,24,25,26,27)
InChIKeyCBBWIGCNBUMSBD-UHFFFAOYSA-N
XLogP5.14
TPSA50.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.46
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-ethyl-3-phenyl-2H-pyrrol-5-yl)-6-methyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 142125443
N-[2-ethyl-3-(furan-2-yl)-2H-pyrrol-5-yl]-6-methyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 142125432
6-methyl-2-phenyl-N-(5-phenyl-1H-pyrazol-3-yl)pyrimidin-4-amine
CID 10131417
4,6-dimethyl-2-phenylpyrimidine;methane
CID 159318650
2-(4-methoxyphenyl)-6-methyl-N-phenylpyrimidin-4-amine
CID 117088632
N-decyl-6-methyl-2-(4-phenylphenyl)pyrimidin-4-amine
CID 59340782
6-methyl-N-(4-morpholin-4-ylphenyl)-2-phenylpyrimidin-4-amine
CID 117085579
N-(6-methyl-2-phenylpyrimidin-4-yl)quinolin-6-amine
CID 162654149
6-methyl-2-phenyl-N-(2-pyridin-4-ylethyl)pyrimidin-4-amine
CID 50957101
N-(2-ethylhexyl)-6-methyl-2-phenylpyrimidin-4-amine
CID 59340643
2-[4-[(6-methyl-2-phenylpyrimidin-4-yl)amino]phenyl]-1-morpholin-4-ylethanone
CID 167959813
N-[(6-methyl-2-phenylpyrimidin-4-yl)methyl]propan-1-amine
CID 62745336

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-3-phenyl-2H-pyrrol-5-yl)-6-methyl-2-phenylpyrimidin-4-amine?
The IUPAC name of N-(2-ethyl-3-phenyl-2H-pyrrol-5-yl)-6-methyl-2-phenylpyrimidin-4-amine (CID 147189090) is N-(2-ethyl-3-phenyl-2H-pyrrol-5-yl)-6-methyl-2-phenylpyrimidin-4-amine.
What is the SMILES notation for N-(2-ethyl-3-phenyl-2H-pyrrol-5-yl)-6-methyl-2-phenylpyrimidin-4-amine?
The canonical SMILES for N-(2-ethyl-3-phenyl-2H-pyrrol-5-yl)-6-methyl-2-phenylpyrimidin-4-amine is CCC1N=C(Nc2cc(C)nc(-c3ccccc3)n2)C=C1c1ccccc1.
What is the InChIKey of N-(2-ethyl-3-phenyl-2H-pyrrol-5-yl)-6-methyl-2-phenylpyrimidin-4-amine?
The InChIKey is CBBWIGCNBUMSBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4/c1-3-20-19(17-10-6-4-7-11-17)15-22(25-20)26-21-14-16(2)24-23(27-21)18-12-8-5-9-13-18/h4-15,20H,3H2,1-2H3,(H,24,25,26,27).
What are the key properties of N-(2-ethyl-3-phenyl-2H-pyrrol-5-yl)-6-methyl-2-phenylpyrimidin-4-amine?
N-(2-ethyl-3-phenyl-2H-pyrrol-5-yl)-6-methyl-2-phenylpyrimidin-4-amine has a molecular weight of 354.46 g/mol, XLogP of 5.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-3-phenyl-2H-pyrrol-5-yl)-6-methyl-2-phenylpyrimidin-4-amine is sourced from PubChem (CID 147189090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).