N-[[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]methyl]-2-methylpropan-2-amine

C16H28N4 — CID 62591241

IUPACN-[[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]methyl]-2-methylpropan-2-amine
SMILESCCc1cc(N2CCC(CNC(C)(C)C)CC2)ncn1
InChIInChI=1S/C16H28N4/c1-5-14-10-15(18-12-17-14)20-8-6-13(7-9-20)11-19-16(2,3)4/h10,12-13,19H,5-9,11H2,1-4H3
InChIKeyDMNGTEDYKBOSIO-UHFFFAOYSA-N
MW276.43 g/mol
LogP2.64
Rot. Bonds4

About N-[[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]methyl]-2-methylpropan-2-amine

N-[[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]methyl]-2-methylpropan-2-amine (PubChem CID 62591241) has the molecular formula C16H28N4 and a molecular weight of 276.43 g/mol. Its IUPAC name is N-[[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]methyl]-2-methylpropan-2-amine
PubChem CID62591241
Molecular FormulaC16H28N4
Molecular Weight276.43 g/mol
Exact Mass276.23
IUPAC NameN-[[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]methyl]-2-methylpropan-2-amine
SMILESCCc1cc(N2CCC(CNC(C)(C)C)CC2)ncn1
InChIInChI=1S/C16H28N4/c1-5-14-10-15(18-12-17-14)20-8-6-13(7-9-20)11-19-16(2,3)4/h10,12-13,19H,5-9,11H2,1-4H3
InChIKeyDMNGTEDYKBOSIO-UHFFFAOYSA-N
XLogP2.64
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 ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]methyl]-2-methylpropan-2-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

Jnj-39758979
CID 24994634
4-Cyclopentyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 24797604
4-Cyclopentyl-6-(piperazin-1-yl)-pyrimidin-2-ylamine
CID 24798144
4-cyclohexyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine
CID 59777341
4-Amino-6-(tert-butyl)pyrimidine
CID 713744
4-t-Butyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-ylamine
CID 24797775
4-[(3R)-3-aminopiperidin-1-yl]-6-cyclopentylpyrimidin-2-amine
CID 24994630
4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-6-propan-2-ylpyrimidin-2-amine
CID 24994635
4-Tert-butyl-6-(4-ethylpiperazin-1-yl)pyrimidin-2-amine
CID 25128826
4-Ethyl-6-[3-(methylamino)-1-azetidinyl]-2-pyrimidinamine
CID 42623567
4-Isopropyl-6-[3-(methylamino)azetidin-1-yl]pyrimidin-2-amine
CID 42623731
4-ethyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine
CID 42624149

Frequently Asked Questions

What is the IUPAC name of N-[[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]methyl]-2-methylpropan-2-amine (CID 62591241) is N-[[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]methyl]-2-methylpropan-2-amine is CCc1cc(N2CCC(CNC(C)(C)C)CC2)ncn1.
What is the InChIKey of N-[[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is DMNGTEDYKBOSIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4/c1-5-14-10-15(18-12-17-14)20-8-6-13(7-9-20)11-19-16(2,3)4/h10,12-13,19H,5-9,11H2,1-4H3.
What are the key properties of N-[[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]methyl]-2-methylpropan-2-amine?
N-[[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 276.43 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 62591241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).