4-N-(2-methylphenyl)-6-N-propylpyrimidine-4,6-diamine

C14H18N4 — CID 80755281

IUPAC4-N-(2-methylphenyl)-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1cc(Nc2ccccc2C)ncn1
InChIInChI=1S/C14H18N4/c1-3-8-15-13-9-14(17-10-16-13)18-12-7-5-4-6-11(12)2/h4-7,9-10H,3,8H2,1-2H3,(H2,15,16,17,18)
InChIKeyDYYGGSNKEDYZOQ-UHFFFAOYSA-N
MW242.33 g/mol
LogP3.35
Rot. Bonds5

About 4-N-(2-methylphenyl)-6-N-propylpyrimidine-4,6-diamine

4-N-(2-methylphenyl)-6-N-propylpyrimidine-4,6-diamine (PubChem CID 80755281) has the molecular formula C14H18N4 and a molecular weight of 242.33 g/mol. Its IUPAC name is 4-N-(2-methylphenyl)-6-N-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(2-methylphenyl)-6-N-propylpyrimidine-4,6-diamine
PubChem CID80755281
Molecular FormulaC14H18N4
Molecular Weight242.33 g/mol
Exact Mass242.15
IUPAC Name4-N-(2-methylphenyl)-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1cc(Nc2ccccc2C)ncn1
InChIInChI=1S/C14H18N4/c1-3-8-15-13-9-14(17-10-16-13)18-12-7-5-4-6-11(12)2/h4-7,9-10H,3,8H2,1-2H3,(H2,15,16,17,18)
InChIKeyDYYGGSNKEDYZOQ-UHFFFAOYSA-N
XLogP3.35
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.33
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N,6-N-bis(2-methylphenyl)pyrimidine-4,6-diamine
CID 112864815
6-N-[2-(dimethylamino)ethyl]-4-N-(2-methylphenyl)pyrimidine-4,6-diamine
CID 112857443
4-N-(5-bromo-2-methylphenyl)-6-N-propylpyrimidine-4,6-diamine
CID 80788913
6-N-propyl-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 80736803
4-N-(2,3-dimethylphenyl)-6-N-pentylpyrimidine-4,6-diamine
CID 112864108
4-N-(2-methylphenyl)-2-phenyl-6-N-propylpyrimidine-4,6-diamine
CID 112879241
4-N-(2,5-dimethylphenyl)-6-N-pentylpyrimidine-4,6-diamine
CID 112864104
5-ethyl-4-N-(2-methylphenyl)-6-N-propylpyrimidine-4,6-diamine
CID 80755419
6-N-butyl-4-N-(2-methoxyphenyl)pyrimidine-4,6-diamine
CID 112855188
4-N-(2,5-dimethylphenyl)-6-N-(2-phenylethyl)pyrimidine-4,6-diamine
CID 112861082
4-N-(4-chloro-2-fluorophenyl)-6-N-propylpyrimidine-4,6-diamine
CID 80801204
6-N-pentyl-4-N-(2-propan-2-ylphenyl)pyrimidine-4,6-diamine
CID 112864112

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-methylphenyl)-6-N-propylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(2-methylphenyl)-6-N-propylpyrimidine-4,6-diamine (CID 80755281) is 4-N-(2-methylphenyl)-6-N-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(2-methylphenyl)-6-N-propylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(2-methylphenyl)-6-N-propylpyrimidine-4,6-diamine is CCCNc1cc(Nc2ccccc2C)ncn1.
What is the InChIKey of 4-N-(2-methylphenyl)-6-N-propylpyrimidine-4,6-diamine?
The InChIKey is DYYGGSNKEDYZOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4/c1-3-8-15-13-9-14(17-10-16-13)18-12-7-5-4-6-11(12)2/h4-7,9-10H,3,8H2,1-2H3,(H2,15,16,17,18).
What are the key properties of 4-N-(2-methylphenyl)-6-N-propylpyrimidine-4,6-diamine?
4-N-(2-methylphenyl)-6-N-propylpyrimidine-4,6-diamine has a molecular weight of 242.33 g/mol, XLogP of 3.35, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-methylphenyl)-6-N-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80755281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).