2-[(4-methylphenyl)methyl]-N,6-dipropylpyrimidin-4-amine

C18H25N3 — CID 63485762

IUPAC2-[(4-methylphenyl)methyl]-N,6-dipropylpyrimidin-4-amine
SMILESCCCNc1cc(CCC)nc(Cc2ccc(C)cc2)n1
InChIInChI=1S/C18H25N3/c1-4-6-16-13-17(19-11-5-2)21-18(20-16)12-15-9-7-14(3)8-10-15/h7-10,13H,4-6,11-12H2,1-3H3,(H,19,20,21)
InChIKeyNVOFHVHPGKQGKS-UHFFFAOYSA-N
MW283.42 g/mol
LogP4.15
Rot. Bonds7

About 2-[(4-methylphenyl)methyl]-N,6-dipropylpyrimidin-4-amine

2-[(4-methylphenyl)methyl]-N,6-dipropylpyrimidin-4-amine (PubChem CID 63485762) has the molecular formula C18H25N3 and a molecular weight of 283.42 g/mol. Its IUPAC name is 2-[(4-methylphenyl)methyl]-N,6-dipropylpyrimidin-4-amine.

Molecular Properties

Compound Name2-[(4-methylphenyl)methyl]-N,6-dipropylpyrimidin-4-amine
PubChem CID63485762
Molecular FormulaC18H25N3
Molecular Weight283.42 g/mol
Exact Mass283.20
IUPAC Name2-[(4-methylphenyl)methyl]-N,6-dipropylpyrimidin-4-amine
SMILESCCCNc1cc(CCC)nc(Cc2ccc(C)cc2)n1
InChIInChI=1S/C18H25N3/c1-4-6-16-13-17(19-11-5-2)21-18(20-16)12-15-9-7-14(3)8-10-15/h7-10,13H,4-6,11-12H2,1-3H3,(H,19,20,21)
InChIKeyNVOFHVHPGKQGKS-UHFFFAOYSA-N
XLogP4.15
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylphenyl)methyl]-N,6-dipropylpyrimidin-4-amine?
The IUPAC name of 2-[(4-methylphenyl)methyl]-N,6-dipropylpyrimidin-4-amine (CID 63485762) is 2-[(4-methylphenyl)methyl]-N,6-dipropylpyrimidin-4-amine.
What is the SMILES notation for 2-[(4-methylphenyl)methyl]-N,6-dipropylpyrimidin-4-amine?
The canonical SMILES for 2-[(4-methylphenyl)methyl]-N,6-dipropylpyrimidin-4-amine is CCCNc1cc(CCC)nc(Cc2ccc(C)cc2)n1.
What is the InChIKey of 2-[(4-methylphenyl)methyl]-N,6-dipropylpyrimidin-4-amine?
The InChIKey is NVOFHVHPGKQGKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3/c1-4-6-16-13-17(19-11-5-2)21-18(20-16)12-15-9-7-14(3)8-10-15/h7-10,13H,4-6,11-12H2,1-3H3,(H,19,20,21).
What are the key properties of 2-[(4-methylphenyl)methyl]-N,6-dipropylpyrimidin-4-amine?
2-[(4-methylphenyl)methyl]-N,6-dipropylpyrimidin-4-amine has a molecular weight of 283.42 g/mol, XLogP of 4.15, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylphenyl)methyl]-N,6-dipropylpyrimidin-4-amine is sourced from PubChem (CID 63485762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).