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

C16H28N4O — CID 102971342

IUPACN-ethyl-6-(3-methoxy-4-methylpiperidin-1-yl)-5-propan-2-ylpyrimidin-4-amine
SMILESCCNc1ncnc(N2CCC(C)C(OC)C2)c1C(C)C
InChIInChI=1S/C16H28N4O/c1-6-17-15-14(11(2)3)16(19-10-18-15)20-8-7-12(4)13(9-20)21-5/h10-13H,6-9H2,1-5H3,(H,17,18,19)
InChIKeySGEVPGGLMVOKIE-UHFFFAOYSA-N
MW292.43 g/mol
LogP2.89
Rot. Bonds5

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

N-ethyl-6-(3-methoxy-4-methylpiperidin-1-yl)-5-propan-2-ylpyrimidin-4-amine (PubChem CID 102971342) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is N-ethyl-6-(3-methoxy-4-methylpiperidin-1-yl)-5-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-6-(3-methoxy-4-methylpiperidin-1-yl)-5-propan-2-ylpyrimidin-4-amine
PubChem CID102971342
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC NameN-ethyl-6-(3-methoxy-4-methylpiperidin-1-yl)-5-propan-2-ylpyrimidin-4-amine
SMILESCCNc1ncnc(N2CCC(C)C(OC)C2)c1C(C)C
InChIInChI=1S/C16H28N4O/c1-6-17-15-14(11(2)3)16(19-10-18-15)20-8-7-12(4)13(9-20)21-5/h10-13H,6-9H2,1-5H3,(H,17,18,19)
InChIKeySGEVPGGLMVOKIE-UHFFFAOYSA-N
XLogP2.89
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-6-(4-ethylpiperidin-1-yl)-5-propan-2-ylpyrimidin-4-amine
CID 80795362
3-methyl-1-[5-propan-2-yl-6-(propylamino)pyrimidin-4-yl]piperidin-4-ol
CID 114684012
N-ethyl-6-(3-ethyl-4-methylpiperazin-1-yl)-5-propan-2-ylpyrimidin-4-amine
CID 80816600
6-(2,3-dimethylpiperidin-1-yl)-N-ethyl-5-propan-2-ylpyrimidin-4-amine
CID 80822136
6-(3-methoxypiperidin-1-yl)-5-propan-2-yl-N-propylpyrimidin-4-amine
CID 102971484
1-[1-[5-propan-2-yl-6-(propylamino)pyrimidin-4-yl]pyrrolidin-3-yl]ethanol
CID 115967468
4-[6-(ethylamino)-5-propan-2-ylpyrimidin-4-yl]morpholine-2-carbonitrile
CID 80849282
1-[6-(ethylamino)-5-methylpyrimidin-4-yl]-4-methylpiperidin-3-ol
CID 102971284
N-ethyl-6-(2-ethylpiperidin-1-yl)-5-propan-2-ylpyrimidin-4-amine
CID 80775470
[6-(3-methoxy-4-methylpiperidin-1-yl)-5-nitropyrimidin-4-yl]hydrazine
CID 102971973
N,5-diethyl-6-(4-propan-2-ylpiperidin-1-yl)pyrimidin-4-amine
CID 103504582
1-[1-[6-(ethylamino)-5-methoxypyrimidin-4-yl]piperidin-4-yl]ethanol
CID 106839920

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-(3-methoxy-4-methylpiperidin-1-yl)-5-propan-2-ylpyrimidin-4-amine?
The IUPAC name of N-ethyl-6-(3-methoxy-4-methylpiperidin-1-yl)-5-propan-2-ylpyrimidin-4-amine (CID 102971342) is N-ethyl-6-(3-methoxy-4-methylpiperidin-1-yl)-5-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for N-ethyl-6-(3-methoxy-4-methylpiperidin-1-yl)-5-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for N-ethyl-6-(3-methoxy-4-methylpiperidin-1-yl)-5-propan-2-ylpyrimidin-4-amine is CCNc1ncnc(N2CCC(C)C(OC)C2)c1C(C)C.
What is the InChIKey of N-ethyl-6-(3-methoxy-4-methylpiperidin-1-yl)-5-propan-2-ylpyrimidin-4-amine?
The InChIKey is SGEVPGGLMVOKIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-6-17-15-14(11(2)3)16(19-10-18-15)20-8-7-12(4)13(9-20)21-5/h10-13H,6-9H2,1-5H3,(H,17,18,19).
What are the key properties of N-ethyl-6-(3-methoxy-4-methylpiperidin-1-yl)-5-propan-2-ylpyrimidin-4-amine?
N-ethyl-6-(3-methoxy-4-methylpiperidin-1-yl)-5-propan-2-ylpyrimidin-4-amine has a molecular weight of 292.43 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-(3-methoxy-4-methylpiperidin-1-yl)-5-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 102971342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).