4-N-(2-methylphenyl)-5-propan-2-ylpyrimidine-4,6-diamine

C14H18N4 — CID 80754772

IUPAC4-N-(2-methylphenyl)-5-propan-2-ylpyrimidine-4,6-diamine
SMILESCc1ccccc1Nc1ncnc(N)c1C(C)C
InChIInChI=1S/C14H18N4/c1-9(2)12-13(15)16-8-17-14(12)18-11-7-5-4-6-10(11)3/h4-9H,1-3H3,(H3,15,16,17,18)
InChIKeyQESBKXGEYXBYPT-UHFFFAOYSA-N
MW242.33 g/mol
LogP3.23
Rot. Bonds3

About 4-N-(2-methylphenyl)-5-propan-2-ylpyrimidine-4,6-diamine

4-N-(2-methylphenyl)-5-propan-2-ylpyrimidine-4,6-diamine (PubChem CID 80754772) has the molecular formula C14H18N4 and a molecular weight of 242.33 g/mol. Its IUPAC name is 4-N-(2-methylphenyl)-5-propan-2-ylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(2-methylphenyl)-5-propan-2-ylpyrimidine-4,6-diamine
PubChem CID80754772
Molecular FormulaC14H18N4
Molecular Weight242.33 g/mol
Exact Mass242.15
IUPAC Name4-N-(2-methylphenyl)-5-propan-2-ylpyrimidine-4,6-diamine
SMILESCc1ccccc1Nc1ncnc(N)c1C(C)C
InChIInChI=1S/C14H18N4/c1-9(2)12-13(15)16-8-17-14(12)18-11-7-5-4-6-10(11)3/h4-9H,1-3H3,(H3,15,16,17,18)
InChIKeyQESBKXGEYXBYPT-UHFFFAOYSA-N
XLogP3.23
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.33
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(2,3-dimethylphenyl)-5-propan-2-ylpyrimidine-4,6-diamine
CID 80762317
4-N-[2-(2-methoxyethyl)phenyl]-5-propan-2-ylpyrimidine-4,6-diamine
CID 102908789
4-amino-6-(2-methylanilino)pyrimidine-5-carbaldehyde
CID 123774955
4-N-naphthalen-2-yl-5-propan-2-ylpyrimidine-4,6-diamine
CID 80793631
4-N-(4-bromo-2,6-dimethylphenyl)-5-propan-2-ylpyrimidine-4,6-diamine
CID 80847487
6-N-(3-methylbutyl)-4-N-(2-methylphenyl)pyrimidine-4,5,6-triamine
CID 19147842
4-N-(3,5-dimethylphenyl)-6-N-(2-methylphenyl)pyrimidine-4,5,6-triamine
CID 22540987
4-N-(2-chloro-4-iodophenyl)-5-propan-2-ylpyrimidine-4,6-diamine
CID 107604821
4-N-(5-bromo-2-chlorophenyl)-5-propan-2-ylpyrimidine-4,6-diamine
CID 80825284
4-N-[(3-methyl-2-pyridinyl)methyl]-5-propan-2-ylpyrimidine-4,6-diamine
CID 80830321
6-(2,2-dimethylhydrazinyl)-5-propan-2-ylpyrimidin-4-amine
CID 83027191
4-N,5-di(propan-2-yl)pyrimidine-4,6-diamine
CID 80765801

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-methylphenyl)-5-propan-2-ylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(2-methylphenyl)-5-propan-2-ylpyrimidine-4,6-diamine (CID 80754772) is 4-N-(2-methylphenyl)-5-propan-2-ylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(2-methylphenyl)-5-propan-2-ylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(2-methylphenyl)-5-propan-2-ylpyrimidine-4,6-diamine is Cc1ccccc1Nc1ncnc(N)c1C(C)C.
What is the InChIKey of 4-N-(2-methylphenyl)-5-propan-2-ylpyrimidine-4,6-diamine?
The InChIKey is QESBKXGEYXBYPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4/c1-9(2)12-13(15)16-8-17-14(12)18-11-7-5-4-6-10(11)3/h4-9H,1-3H3,(H3,15,16,17,18).
What are the key properties of 4-N-(2-methylphenyl)-5-propan-2-ylpyrimidine-4,6-diamine?
4-N-(2-methylphenyl)-5-propan-2-ylpyrimidine-4,6-diamine has a molecular weight of 242.33 g/mol, XLogP of 3.23, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-methylphenyl)-5-propan-2-ylpyrimidine-4,6-diamine is sourced from PubChem (CID 80754772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).