N-ethyl-5-methyl-6-(3-methylpiperidin-1-yl)-2-propan-2-ylpyrimidin-4-amine

C16H28N4 — CID 80980822

IUPACN-ethyl-5-methyl-6-(3-methylpiperidin-1-yl)-2-propan-2-ylpyrimidin-4-amine
SMILESCCNc1nc(C(C)C)nc(N2CCCC(C)C2)c1C
InChIInChI=1S/C16H28N4/c1-6-17-15-13(5)16(19-14(18-15)11(2)3)20-9-7-8-12(4)10-20/h11-12H,6-10H2,1-5H3,(H,17,18,19)
InChIKeyQMOPMJPLFKRNJU-UHFFFAOYSA-N
MW276.43 g/mol
LogP3.58
Rot. Bonds4

About N-ethyl-5-methyl-6-(3-methylpiperidin-1-yl)-2-propan-2-ylpyrimidin-4-amine

N-ethyl-5-methyl-6-(3-methylpiperidin-1-yl)-2-propan-2-ylpyrimidin-4-amine (PubChem CID 80980822) has the molecular formula C16H28N4 and a molecular weight of 276.43 g/mol. Its IUPAC name is N-ethyl-5-methyl-6-(3-methylpiperidin-1-yl)-2-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-5-methyl-6-(3-methylpiperidin-1-yl)-2-propan-2-ylpyrimidin-4-amine
PubChem CID80980822
Molecular FormulaC16H28N4
Molecular Weight276.43 g/mol
Exact Mass276.23
IUPAC NameN-ethyl-5-methyl-6-(3-methylpiperidin-1-yl)-2-propan-2-ylpyrimidin-4-amine
SMILESCCNc1nc(C(C)C)nc(N2CCCC(C)C2)c1C
InChIInChI=1S/C16H28N4/c1-6-17-15-13(5)16(19-14(18-15)11(2)3)20-9-7-8-12(4)10-20/h11-12H,6-10H2,1-5H3,(H,17,18,19)
InChIKeyQMOPMJPLFKRNJU-UHFFFAOYSA-N
XLogP3.58
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.43
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-5-methyl-2-propan-2-yl-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 80981685
N-ethyl-5-methyl-6-(1,4-oxazepan-4-yl)-2-propan-2-ylpyrimidin-4-amine
CID 80984409
6-[3-(methoxymethyl)piperidin-1-yl]-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine
CID 106590209
2-tert-butyl-N-ethyl-5-methyl-6-(3-methylpyrrolidin-1-yl)pyrimidin-4-amine
CID 80986307
6-(3-methoxypiperidin-1-yl)-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine
CID 102971566
6-(2,5-dimethylmorpholin-4-yl)-N-ethyl-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80986421
N,5-dimethyl-6-(4-methylpiperidin-1-yl)-2-propan-2-ylpyrimidin-4-amine
CID 80981572
4-chloro-5-methyl-6-(3-methylpyrrolidin-1-yl)-2-propan-2-ylpyrimidine
CID 80971294
6-N-ethyl-5-methyl-4-N-[(2-methylcyclopentyl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine
CID 107421253
1-[5-methyl-6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]piperidine-3-carboxamide
CID 80975607
[6-[3-(methoxymethyl)pyrrolidin-1-yl]-5-methyl-2-propan-2-ylpyrimidin-4-yl]hydrazine
CID 81006221
2-cyclopropyl-N-ethyl-5-methyl-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 80980816

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-methyl-6-(3-methylpiperidin-1-yl)-2-propan-2-ylpyrimidin-4-amine?
The IUPAC name of N-ethyl-5-methyl-6-(3-methylpiperidin-1-yl)-2-propan-2-ylpyrimidin-4-amine (CID 80980822) is N-ethyl-5-methyl-6-(3-methylpiperidin-1-yl)-2-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for N-ethyl-5-methyl-6-(3-methylpiperidin-1-yl)-2-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for N-ethyl-5-methyl-6-(3-methylpiperidin-1-yl)-2-propan-2-ylpyrimidin-4-amine is CCNc1nc(C(C)C)nc(N2CCCC(C)C2)c1C.
What is the InChIKey of N-ethyl-5-methyl-6-(3-methylpiperidin-1-yl)-2-propan-2-ylpyrimidin-4-amine?
The InChIKey is QMOPMJPLFKRNJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4/c1-6-17-15-13(5)16(19-14(18-15)11(2)3)20-9-7-8-12(4)10-20/h11-12H,6-10H2,1-5H3,(H,17,18,19).
What are the key properties of N-ethyl-5-methyl-6-(3-methylpiperidin-1-yl)-2-propan-2-ylpyrimidin-4-amine?
N-ethyl-5-methyl-6-(3-methylpiperidin-1-yl)-2-propan-2-ylpyrimidin-4-amine has a molecular weight of 276.43 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-methyl-6-(3-methylpiperidin-1-yl)-2-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 80980822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).