N-[1-(4-methylphenyl)ethyl]-6-propoxypyrimidin-4-amine

C16H21N3O — CID 66328207

IUPACN-[1-(4-methylphenyl)ethyl]-6-propoxypyrimidin-4-amine
SMILESCCCOc1cc(NC(C)c2ccc(C)cc2)ncn1
InChIInChI=1S/C16H21N3O/c1-4-9-20-16-10-15(17-11-18-16)19-13(3)14-7-5-12(2)6-8-14/h5-8,10-11,13H,4,9H2,1-3H3,(H,17,18,19)
InChIKeyHQUQVZUHDWINCZ-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.75
Rot. Bonds6

About N-[1-(4-methylphenyl)ethyl]-6-propoxypyrimidin-4-amine

N-[1-(4-methylphenyl)ethyl]-6-propoxypyrimidin-4-amine (PubChem CID 66328207) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is N-[1-(4-methylphenyl)ethyl]-6-propoxypyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-(4-methylphenyl)ethyl]-6-propoxypyrimidin-4-amine
PubChem CID66328207
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC NameN-[1-(4-methylphenyl)ethyl]-6-propoxypyrimidin-4-amine
SMILESCCCOc1cc(NC(C)c2ccc(C)cc2)ncn1
InChIInChI=1S/C16H21N3O/c1-4-9-20-16-10-15(17-11-18-16)19-13(3)14-7-5-12(2)6-8-14/h5-8,10-11,13H,4,9H2,1-3H3,(H,17,18,19)
InChIKeyHQUQVZUHDWINCZ-UHFFFAOYSA-N
XLogP3.75
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methylphenyl)ethyl]-6-propoxypyrimidin-4-amine?
The IUPAC name of N-[1-(4-methylphenyl)ethyl]-6-propoxypyrimidin-4-amine (CID 66328207) is N-[1-(4-methylphenyl)ethyl]-6-propoxypyrimidin-4-amine.
What is the SMILES notation for N-[1-(4-methylphenyl)ethyl]-6-propoxypyrimidin-4-amine?
The canonical SMILES for N-[1-(4-methylphenyl)ethyl]-6-propoxypyrimidin-4-amine is CCCOc1cc(NC(C)c2ccc(C)cc2)ncn1.
What is the InChIKey of N-[1-(4-methylphenyl)ethyl]-6-propoxypyrimidin-4-amine?
The InChIKey is HQUQVZUHDWINCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-4-9-20-16-10-15(17-11-18-16)19-13(3)14-7-5-12(2)6-8-14/h5-8,10-11,13H,4,9H2,1-3H3,(H,17,18,19).
What are the key properties of N-[1-(4-methylphenyl)ethyl]-6-propoxypyrimidin-4-amine?
N-[1-(4-methylphenyl)ethyl]-6-propoxypyrimidin-4-amine has a molecular weight of 271.36 g/mol, XLogP of 3.75, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methylphenyl)ethyl]-6-propoxypyrimidin-4-amine is sourced from PubChem (CID 66328207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).