2-[(4-methylphenyl)methyl]-6-propan-2-yl-N-propylpyrimidin-4-amine

C18H25N3 — CID 63485245

IUPAC2-[(4-methylphenyl)methyl]-6-propan-2-yl-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(C(C)C)nc(Cc2ccc(C)cc2)n1
InChIInChI=1S/C18H25N3/c1-5-10-19-17-12-16(13(2)3)20-18(21-17)11-15-8-6-14(4)7-9-15/h6-9,12-13H,5,10-11H2,1-4H3,(H,19,20,21)
InChIKeySJXWJHIWABENDF-UHFFFAOYSA-N
MW283.42 g/mol
LogP4.32
Rot. Bonds6

About 2-[(4-methylphenyl)methyl]-6-propan-2-yl-N-propylpyrimidin-4-amine

2-[(4-methylphenyl)methyl]-6-propan-2-yl-N-propylpyrimidin-4-amine (PubChem CID 63485245) has the molecular formula C18H25N3 and a molecular weight of 283.42 g/mol. Its IUPAC name is 2-[(4-methylphenyl)methyl]-6-propan-2-yl-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name2-[(4-methylphenyl)methyl]-6-propan-2-yl-N-propylpyrimidin-4-amine
PubChem CID63485245
Molecular FormulaC18H25N3
Molecular Weight283.42 g/mol
Exact Mass283.20
IUPAC Name2-[(4-methylphenyl)methyl]-6-propan-2-yl-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(C(C)C)nc(Cc2ccc(C)cc2)n1
InChIInChI=1S/C18H25N3/c1-5-10-19-17-12-16(13(2)3)20-18(21-17)11-15-8-6-14(4)7-9-15/h6-9,12-13H,5,10-11H2,1-4H3,(H,19,20,21)
InChIKeySJXWJHIWABENDF-UHFFFAOYSA-N
XLogP4.32
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-benzyl-6-propan-2-yl-N-propylpyrimidin-4-amine
CID 63485421
2-[(4-methylphenyl)methyl]-N,6-dipropylpyrimidin-4-amine
CID 63485762
2-[(4-chlorophenyl)methyl]-N-ethyl-6-propan-2-ylpyrimidin-4-amine
CID 63484706
2-[(2-fluorophenyl)methyl]-6-propan-2-yl-N-propylpyrimidin-4-amine
CID 63485417
2-(methoxymethyl)-6-propan-2-yl-N-propylpyrimidin-4-amine
CID 62190414
2-[(4-bromophenyl)methyl]-6-methyl-N-propylpyrimidin-4-amine
CID 55135198
2-(tert-butylsulfanylmethyl)-6-propan-2-yl-N-propylpyrimidin-4-amine
CID 65138244
2-[(3,5-dimethylphenyl)methyl]-6-ethyl-N-propylpyrimidin-4-amine
CID 63484694
2-(phenoxymethyl)-6-propan-2-yl-N-propylpyrimidin-4-amine
CID 62716221
6-tert-butyl-N-ethyl-2-[(4-methylphenyl)methyl]pyrimidin-4-amine
CID 63487149
6-(4-methylphenyl)-2-propan-2-yl-N-propylpyrimidin-4-amine
CID 80952017
2-[2-(2,2-difluoroethoxy)ethyl]-6-propan-2-yl-N-propylpyrimidin-4-amine
CID 103150314

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylphenyl)methyl]-6-propan-2-yl-N-propylpyrimidin-4-amine?
The IUPAC name of 2-[(4-methylphenyl)methyl]-6-propan-2-yl-N-propylpyrimidin-4-amine (CID 63485245) is 2-[(4-methylphenyl)methyl]-6-propan-2-yl-N-propylpyrimidin-4-amine.
What is the SMILES notation for 2-[(4-methylphenyl)methyl]-6-propan-2-yl-N-propylpyrimidin-4-amine?
The canonical SMILES for 2-[(4-methylphenyl)methyl]-6-propan-2-yl-N-propylpyrimidin-4-amine is CCCNc1cc(C(C)C)nc(Cc2ccc(C)cc2)n1.
What is the InChIKey of 2-[(4-methylphenyl)methyl]-6-propan-2-yl-N-propylpyrimidin-4-amine?
The InChIKey is SJXWJHIWABENDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3/c1-5-10-19-17-12-16(13(2)3)20-18(21-17)11-15-8-6-14(4)7-9-15/h6-9,12-13H,5,10-11H2,1-4H3,(H,19,20,21).
What are the key properties of 2-[(4-methylphenyl)methyl]-6-propan-2-yl-N-propylpyrimidin-4-amine?
2-[(4-methylphenyl)methyl]-6-propan-2-yl-N-propylpyrimidin-4-amine has a molecular weight of 283.42 g/mol, XLogP of 4.32, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylphenyl)methyl]-6-propan-2-yl-N-propylpyrimidin-4-amine is sourced from PubChem (CID 63485245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).