6-ethyl-2-methyl-N-[1-(2-methylprop-2-enyl)piperidin-4-yl]pyrimidin-4-amine

C16H26N4 — CID 133460514

IUPAC6-ethyl-2-methyl-N-[1-(2-methylprop-2-enyl)piperidin-4-yl]pyrimidin-4-amine
SMILESC=C(C)CN1CCC(Nc2cc(CC)nc(C)n2)CC1
InChIInChI=1S/C16H26N4/c1-5-14-10-16(18-13(4)17-14)19-15-6-8-20(9-7-15)11-12(2)3/h10,15H,2,5-9,11H2,1,3-4H3,(H,17,18,19)
InChIKeyNWIPBKAIWOLUEV-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.80
Rot. Bonds5

About 6-ethyl-2-methyl-N-[1-(2-methylprop-2-enyl)piperidin-4-yl]pyrimidin-4-amine

6-ethyl-2-methyl-N-[1-(2-methylprop-2-enyl)piperidin-4-yl]pyrimidin-4-amine (PubChem CID 133460514) has the molecular formula C16H26N4 and a molecular weight of 274.41 g/mol. Its IUPAC name is 6-ethyl-2-methyl-N-[1-(2-methylprop-2-enyl)piperidin-4-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-ethyl-2-methyl-N-[1-(2-methylprop-2-enyl)piperidin-4-yl]pyrimidin-4-amine
PubChem CID133460514
Molecular FormulaC16H26N4
Molecular Weight274.41 g/mol
Exact Mass274.22
IUPAC Name6-ethyl-2-methyl-N-[1-(2-methylprop-2-enyl)piperidin-4-yl]pyrimidin-4-amine
SMILESC=C(C)CN1CCC(Nc2cc(CC)nc(C)n2)CC1
InChIInChI=1S/C16H26N4/c1-5-14-10-16(18-13(4)17-14)19-15-6-8-20(9-7-15)11-12(2)3/h10,15H,2,5-9,11H2,1,3-4H3,(H,17,18,19)
InChIKeyNWIPBKAIWOLUEV-UHFFFAOYSA-N
XLogP2.80
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 6-ethyl-2-methyl-N-[1-(2-methylprop-2-enyl)piperidin-4-yl]pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-N-(6-ethyl-2-methylpyrimidin-4-yl)-1-N-methylcyclohexane-1,4-diamine
CID 79110713
2-[4-[(6-ethyl-2-methylpyrimidin-4-yl)amino]piperidin-1-yl]cyclohexan-1-ol
CID 133472742
[4-[(6-ethyl-2-methylpyrimidin-4-yl)amino]cyclohexyl]methanol
CID 133472420
N-[1-[(3,5-dimethoxyphenyl)methyl]pyrrolidin-3-yl]-6-ethyl-2-methylpyrimidin-4-amine
CID 133472325
3-N-(6-ethyl-2-methylpyrimidin-4-yl)-1-N,1-N-dimethylcyclohexane-1,3-diamine
CID 133461679
ethyl 4-[[6-(cyclopropylamino)-2-methylpyrimidin-4-yl]amino]piperidine-1-carboxylate
CID 112867497
ethyl 4-[(6-chloro-2-methylpyrimidin-4-yl)amino]piperidine-1-carboxylate
CID 62482125
1-[3-[(6-ethyl-2-methylpyrimidin-4-yl)amino]pyrrolidin-1-yl]-3-phenylpropan-1-one
CID 133472372
N-[1-(2-methylprop-2-enyl)piperidin-4-yl]-5-phenyl-1,2,4-oxadiazol-3-amine
CID 133483006
ethyl 4-[(2,6-dimethylpyrimidin-4-yl)amino]piperidine-1-carboxylate
CID 60726756
[2-[(6-ethyl-2-methylpyrimidin-4-yl)amino]cycloheptyl]methanol
CID 133472380
1-[2-[4-[[6-(cyclopentylamino)-2-methylpyrimidin-4-yl]methyl]piperidin-1-yl]acetyl]piperidine-4-carboxamide
CID 92638010

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2-methyl-N-[1-(2-methylprop-2-enyl)piperidin-4-yl]pyrimidin-4-amine?
The IUPAC name of 6-ethyl-2-methyl-N-[1-(2-methylprop-2-enyl)piperidin-4-yl]pyrimidin-4-amine (CID 133460514) is 6-ethyl-2-methyl-N-[1-(2-methylprop-2-enyl)piperidin-4-yl]pyrimidin-4-amine.
What is the SMILES notation for 6-ethyl-2-methyl-N-[1-(2-methylprop-2-enyl)piperidin-4-yl]pyrimidin-4-amine?
The canonical SMILES for 6-ethyl-2-methyl-N-[1-(2-methylprop-2-enyl)piperidin-4-yl]pyrimidin-4-amine is C=C(C)CN1CCC(Nc2cc(CC)nc(C)n2)CC1.
What is the InChIKey of 6-ethyl-2-methyl-N-[1-(2-methylprop-2-enyl)piperidin-4-yl]pyrimidin-4-amine?
The InChIKey is NWIPBKAIWOLUEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4/c1-5-14-10-16(18-13(4)17-14)19-15-6-8-20(9-7-15)11-12(2)3/h10,15H,2,5-9,11H2,1,3-4H3,(H,17,18,19).
What are the key properties of 6-ethyl-2-methyl-N-[1-(2-methylprop-2-enyl)piperidin-4-yl]pyrimidin-4-amine?
6-ethyl-2-methyl-N-[1-(2-methylprop-2-enyl)piperidin-4-yl]pyrimidin-4-amine has a molecular weight of 274.41 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2-methyl-N-[1-(2-methylprop-2-enyl)piperidin-4-yl]pyrimidin-4-amine is sourced from PubChem (CID 133460514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).