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

C20H22N4 — CID 112932857

IUPAC4-N-(4-methylphenyl)-6-phenyl-2-N-propan-2-ylpyrimidine-2,4-diamine
SMILESCc1ccc(Nc2cc(-c3ccccc3)nc(NC(C)C)n2)cc1
InChIInChI=1S/C20H22N4/c1-14(2)21-20-23-18(16-7-5-4-6-8-16)13-19(24-20)22-17-11-9-15(3)10-12-17/h4-14H,1-3H3,(H2,21,22,23,24)
InChIKeyYRGMRPFBWYLKTB-UHFFFAOYSA-N
MW318.42 g/mol
LogP5.02
Rot. Bonds5

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

4-N-(4-methylphenyl)-6-phenyl-2-N-propan-2-ylpyrimidine-2,4-diamine (PubChem CID 112932857) has the molecular formula C20H22N4 and a molecular weight of 318.42 g/mol. Its IUPAC name is 4-N-(4-methylphenyl)-6-phenyl-2-N-propan-2-ylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(4-methylphenyl)-6-phenyl-2-N-propan-2-ylpyrimidine-2,4-diamine
PubChem CID112932857
Molecular FormulaC20H22N4
Molecular Weight318.42 g/mol
Exact Mass318.18
IUPAC Name4-N-(4-methylphenyl)-6-phenyl-2-N-propan-2-ylpyrimidine-2,4-diamine
SMILESCc1ccc(Nc2cc(-c3ccccc3)nc(NC(C)C)n2)cc1
InChIInChI=1S/C20H22N4/c1-14(2)21-20-23-18(16-7-5-4-6-8-16)13-19(24-20)22-17-11-9-15(3)10-12-17/h4-14H,1-3H3,(H2,21,22,23,24)
InChIKeyYRGMRPFBWYLKTB-UHFFFAOYSA-N
XLogP5.02
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.42
LogP ≤ 55.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-tert-butyl-4-N-(4-methylphenyl)-6-phenylpyrimidine-2,4-diamine
CID 112937847
4-N-(3-bromophenyl)-6-phenyl-2-N-propan-2-ylpyrimidine-2,4-diamine
CID 112932901
2-N-[(4-methylphenyl)methyl]-6-phenyl-4-N-propan-2-ylpyrimidine-2,4-diamine
CID 112932661
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
4-N-(4-methylphenyl)-6-N-phenyl-2-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine;hydrochloride
CID 134150531
1-[4-[[4-phenyl-6-(propan-2-ylamino)pyrimidin-2-yl]amino]phenyl]ethanone
CID 112932746
N-[4-[[2-(butan-2-ylamino)-6-phenylpyrimidin-4-yl]amino]phenyl]acetamide
CID 112934051
N-[4-[[2-[[(2S)-butan-2-yl]amino]-6-phenylpyrimidin-4-yl]amino]phenyl]acetamide
CID 124748906
2-N-[(2R)-butan-2-yl]-4-N-(4-ethoxyphenyl)-6-phenylpyrimidine-2,4-diamine
CID 124750208
2-N-(2-methylphenyl)-6-phenyl-4-N-propan-2-ylpyrimidine-2,4-diamine
CID 112932714
4-N-(2-methoxyethyl)-6-phenyl-2-N-propan-2-ylpyrimidine-2,4-diamine
CID 112932787

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-methylphenyl)-6-phenyl-2-N-propan-2-ylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-(4-methylphenyl)-6-phenyl-2-N-propan-2-ylpyrimidine-2,4-diamine (CID 112932857) is 4-N-(4-methylphenyl)-6-phenyl-2-N-propan-2-ylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(4-methylphenyl)-6-phenyl-2-N-propan-2-ylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(4-methylphenyl)-6-phenyl-2-N-propan-2-ylpyrimidine-2,4-diamine is Cc1ccc(Nc2cc(-c3ccccc3)nc(NC(C)C)n2)cc1.
What is the InChIKey of 4-N-(4-methylphenyl)-6-phenyl-2-N-propan-2-ylpyrimidine-2,4-diamine?
The InChIKey is YRGMRPFBWYLKTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4/c1-14(2)21-20-23-18(16-7-5-4-6-8-16)13-19(24-20)22-17-11-9-15(3)10-12-17/h4-14H,1-3H3,(H2,21,22,23,24).
What are the key properties of 4-N-(4-methylphenyl)-6-phenyl-2-N-propan-2-ylpyrimidine-2,4-diamine?
4-N-(4-methylphenyl)-6-phenyl-2-N-propan-2-ylpyrimidine-2,4-diamine has a molecular weight of 318.42 g/mol, XLogP of 5.02, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-methylphenyl)-6-phenyl-2-N-propan-2-ylpyrimidine-2,4-diamine is sourced from PubChem (CID 112932857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).