4-N-(3-bromophenyl)-6-phenyl-2-N-propan-2-ylpyrimidine-2,4-diamine

C19H19BrN4 — CID 112932901

IUPAC4-N-(3-bromophenyl)-6-phenyl-2-N-propan-2-ylpyrimidine-2,4-diamine
SMILESCC(C)Nc1nc(Nc2cccc(Br)c2)cc(-c2ccccc2)n1
InChIInChI=1S/C19H19BrN4/c1-13(2)21-19-23-17(14-7-4-3-5-8-14)12-18(24-19)22-16-10-6-9-15(20)11-16/h3-13H,1-2H3,(H2,21,22,23,24)
InChIKeyDZKHTKLKLPFFAD-UHFFFAOYSA-N
MW383.29 g/mol
LogP5.47
Rot. Bonds5

About 4-N-(3-bromophenyl)-6-phenyl-2-N-propan-2-ylpyrimidine-2,4-diamine

4-N-(3-bromophenyl)-6-phenyl-2-N-propan-2-ylpyrimidine-2,4-diamine (PubChem CID 112932901) has the molecular formula C19H19BrN4 and a molecular weight of 383.29 g/mol. Its IUPAC name is 4-N-(3-bromophenyl)-6-phenyl-2-N-propan-2-ylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(3-bromophenyl)-6-phenyl-2-N-propan-2-ylpyrimidine-2,4-diamine
PubChem CID112932901
Molecular FormulaC19H19BrN4
Molecular Weight383.29 g/mol
Exact Mass382.08
IUPAC Name4-N-(3-bromophenyl)-6-phenyl-2-N-propan-2-ylpyrimidine-2,4-diamine
SMILESCC(C)Nc1nc(Nc2cccc(Br)c2)cc(-c2ccccc2)n1
InChIInChI=1S/C19H19BrN4/c1-13(2)21-19-23-17(14-7-4-3-5-8-14)12-18(24-19)22-16-10-6-9-15(20)11-16/h3-13H,1-2H3,(H2,21,22,23,24)
InChIKeyDZKHTKLKLPFFAD-UHFFFAOYSA-N
XLogP5.47
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.29
LogP ≤ 55.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(4-methylphenyl)-6-phenyl-2-N-propan-2-ylpyrimidine-2,4-diamine
CID 112932857
2-N,6-diphenyl-4-N-propan-2-ylpyridine-2,4-diamine
CID 141497384
6-phenyl-2-N-propan-2-yl-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 112932884
3-[[2-[[(2S)-butan-2-yl]amino]-6-phenylpyrimidin-4-yl]amino]benzonitrile
CID 124750224
4-N-(2-methoxyethyl)-6-phenyl-2-N-propan-2-ylpyrimidine-2,4-diamine
CID 112932787
6-N-(3-methylphenyl)-2-phenyl-4-N-propan-2-ylpyrimidine-4,6-diamine
CID 112879366
2-N-(2-methylphenyl)-6-phenyl-4-N-propan-2-ylpyrimidine-2,4-diamine
CID 112932714
3-bromo-N-propan-2-ylaniline
CID 23291934
2-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-phenyl-4-N-propan-2-ylpyrimidine-2,4-diamine
CID 112932761
4-N-[(4-methoxyphenyl)methyl]-6-phenyl-2-N-propan-2-ylpyrimidine-2,4-diamine
CID 112932810
4-N-(4-bromophenyl)-6-N-phenyl-2-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine
CID 134138490
2-N-[(2R)-butan-2-yl]-4-N-(4-ethoxyphenyl)-6-phenylpyrimidine-2,4-diamine
CID 124750208

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-bromophenyl)-6-phenyl-2-N-propan-2-ylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-(3-bromophenyl)-6-phenyl-2-N-propan-2-ylpyrimidine-2,4-diamine (CID 112932901) is 4-N-(3-bromophenyl)-6-phenyl-2-N-propan-2-ylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(3-bromophenyl)-6-phenyl-2-N-propan-2-ylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(3-bromophenyl)-6-phenyl-2-N-propan-2-ylpyrimidine-2,4-diamine is CC(C)Nc1nc(Nc2cccc(Br)c2)cc(-c2ccccc2)n1.
What is the InChIKey of 4-N-(3-bromophenyl)-6-phenyl-2-N-propan-2-ylpyrimidine-2,4-diamine?
The InChIKey is DZKHTKLKLPFFAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrN4/c1-13(2)21-19-23-17(14-7-4-3-5-8-14)12-18(24-19)22-16-10-6-9-15(20)11-16/h3-13H,1-2H3,(H2,21,22,23,24).
What are the key properties of 4-N-(3-bromophenyl)-6-phenyl-2-N-propan-2-ylpyrimidine-2,4-diamine?
4-N-(3-bromophenyl)-6-phenyl-2-N-propan-2-ylpyrimidine-2,4-diamine has a molecular weight of 383.29 g/mol, XLogP of 5.47, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-bromophenyl)-6-phenyl-2-N-propan-2-ylpyrimidine-2,4-diamine is sourced from PubChem (CID 112932901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).