4-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]-6-propoxypyrimidin-2-amine

C16H28N4O — CID 115974679

IUPAC4-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]-6-propoxypyrimidin-2-amine
SMILESCCCOc1cc(C)nc(NCCN2CCC(C)CC2)n1
InChIInChI=1S/C16H28N4O/c1-4-11-21-15-12-14(3)18-16(19-15)17-7-10-20-8-5-13(2)6-9-20/h12-13H,4-11H2,1-3H3,(H,17,18,19)
InChIKeyWPRJAZDNWBFXOH-UHFFFAOYSA-N
MW292.43 g/mol
LogP2.72
Rot. Bonds7

About 4-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]-6-propoxypyrimidin-2-amine

4-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]-6-propoxypyrimidin-2-amine (PubChem CID 115974679) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is 4-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]-6-propoxypyrimidin-2-amine.

Molecular Properties

Compound Name4-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]-6-propoxypyrimidin-2-amine
PubChem CID115974679
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC Name4-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]-6-propoxypyrimidin-2-amine
SMILESCCCOc1cc(C)nc(NCCN2CCC(C)CC2)n1
InChIInChI=1S/C16H28N4O/c1-4-11-21-15-12-14(3)18-16(19-15)17-7-10-20-8-5-13(2)6-9-20/h12-13H,4-11H2,1-3H3,(H,17,18,19)
InChIKeyWPRJAZDNWBFXOH-UHFFFAOYSA-N
XLogP2.72
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-6-propoxy-N-(3-pyrrolidin-1-ylpropyl)pyrimidin-2-amine
CID 115975022
4-ethoxy-6-methyl-N-(2-thiomorpholin-4-ylethyl)pyrimidin-2-amine
CID 106325959
4-methyl-N-[(3-methylcyclopentyl)methyl]-6-propoxypyrimidin-2-amine
CID 107414062
4-chloro-N-[2-(4-methylpiperidin-1-yl)ethyl]-6-propoxy-1,3,5-triazin-2-amine
CID 106193903
N-hexyl-4-methyl-6-propoxypyrimidin-2-amine
CID 112637799
N-(3-methoxypropyl)-4-methyl-6-propoxypyrimidin-2-amine
CID 112636619
4-methyl-N-[(2-methylcyclopentyl)methyl]-6-propoxypyrimidin-2-amine
CID 107419381
N-[3-(2-aminoethoxy)propyl]-4-methyl-6-propoxypyrimidin-2-amine
CID 106308368
N-[2-(cyclopenten-1-yl)ethyl]-4-methyl-6-propoxypyrimidin-2-amine
CID 106177621
N-(3,5-dimethylcyclohexyl)-4-methyl-6-propoxypyrimidin-2-amine
CID 115975126
4-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-6-propoxypyrimidin-2-amine
CID 115975019
4-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]-6-propoxypyrimidin-2-amine
CID 106105448

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]-6-propoxypyrimidin-2-amine?
The IUPAC name of 4-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]-6-propoxypyrimidin-2-amine (CID 115974679) is 4-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]-6-propoxypyrimidin-2-amine.
What is the SMILES notation for 4-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]-6-propoxypyrimidin-2-amine?
The canonical SMILES for 4-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]-6-propoxypyrimidin-2-amine is CCCOc1cc(C)nc(NCCN2CCC(C)CC2)n1.
What is the InChIKey of 4-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]-6-propoxypyrimidin-2-amine?
The InChIKey is WPRJAZDNWBFXOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-4-11-21-15-12-14(3)18-16(19-15)17-7-10-20-8-5-13(2)6-9-20/h12-13H,4-11H2,1-3H3,(H,17,18,19).
What are the key properties of 4-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]-6-propoxypyrimidin-2-amine?
4-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]-6-propoxypyrimidin-2-amine has a molecular weight of 292.43 g/mol, XLogP of 2.72, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]-6-propoxypyrimidin-2-amine is sourced from PubChem (CID 115974679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).