N-benzyl-4-(2-ethylpiperidin-1-yl)pyrimidin-2-amine

C18H24N4 — CID 112889620

IUPACN-benzyl-4-(2-ethylpiperidin-1-yl)pyrimidin-2-amine
SMILESCCC1CCCCN1c1ccnc(NCc2ccccc2)n1
InChIInChI=1S/C18H24N4/c1-2-16-10-6-7-13-22(16)17-11-12-19-18(21-17)20-14-15-8-4-3-5-9-15/h3-5,8-9,11-12,16H,2,6-7,10,13-14H2,1H3,(H,19,20,21)
InChIKeyAWHHIXRPJLISMI-UHFFFAOYSA-N
MW296.42 g/mol
LogP3.86
Rot. Bonds5

About N-benzyl-4-(2-ethylpiperidin-1-yl)pyrimidin-2-amine

N-benzyl-4-(2-ethylpiperidin-1-yl)pyrimidin-2-amine (PubChem CID 112889620) has the molecular formula C18H24N4 and a molecular weight of 296.42 g/mol. Its IUPAC name is N-benzyl-4-(2-ethylpiperidin-1-yl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-benzyl-4-(2-ethylpiperidin-1-yl)pyrimidin-2-amine
PubChem CID112889620
Molecular FormulaC18H24N4
Molecular Weight296.42 g/mol
Exact Mass296.20
IUPAC NameN-benzyl-4-(2-ethylpiperidin-1-yl)pyrimidin-2-amine
SMILESCCC1CCCCN1c1ccnc(NCc2ccccc2)n1
InChIInChI=1S/C18H24N4/c1-2-16-10-6-7-13-22(16)17-11-12-19-18(21-17)20-14-15-8-4-3-5-9-15/h3-5,8-9,11-12,16H,2,6-7,10,13-14H2,1H3,(H,19,20,21)
InChIKeyAWHHIXRPJLISMI-UHFFFAOYSA-N
XLogP3.86
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-ethylpiperidin-1-yl)-N-(pyridin-2-ylmethyl)pyrimidin-2-amine
CID 112893334
N-[4-(2-ethylpiperidin-1-yl)pyrimidin-2-yl]-N',N'-dimethylethane-1,2-diamine
CID 112887183
N-[4-(2-ethylpiperidin-1-yl)pyrimidin-2-yl]-N',N'-dimethylpropane-1,3-diamine
CID 112887792
N-benzyl-3-(2-ethylpiperidin-1-yl)-1,2,4-triazin-5-amine
CID 112947575
N-(2,4-dimethylphenyl)-4-(2-ethylpiperidin-1-yl)pyrimidin-2-amine
CID 112900838
N-ethyl-4-(2-ethylpiperidin-1-yl)-N-phenylpyrimidin-2-amine
CID 112900846
N-ethyl-4-(2-methylpiperidin-1-yl)pyrimidin-2-amine
CID 80766699
1-[2-(2-ethylpiperidin-1-yl)-4-pyridinyl]-N-methylmethanamine
CID 55054433
4-N,4-N-diethyl-1-N-[4-(2-ethylpiperidin-1-yl)pyrimidin-2-yl]-2-methylbenzene-1,4-diamine
CID 112900923
4-(2-ethylpiperidin-1-yl)-N-(furan-2-ylmethyl)-6-methylpyrimidin-2-amine
CID 112915344
4-(2-methylazepan-1-yl)-N-propylpyrimidin-2-amine
CID 80835435
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(2-ethylpiperidin-1-yl)pyrimidin-2-amine
CID 112900912

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-(2-ethylpiperidin-1-yl)pyrimidin-2-amine?
The IUPAC name of N-benzyl-4-(2-ethylpiperidin-1-yl)pyrimidin-2-amine (CID 112889620) is N-benzyl-4-(2-ethylpiperidin-1-yl)pyrimidin-2-amine.
What is the SMILES notation for N-benzyl-4-(2-ethylpiperidin-1-yl)pyrimidin-2-amine?
The canonical SMILES for N-benzyl-4-(2-ethylpiperidin-1-yl)pyrimidin-2-amine is CCC1CCCCN1c1ccnc(NCc2ccccc2)n1.
What is the InChIKey of N-benzyl-4-(2-ethylpiperidin-1-yl)pyrimidin-2-amine?
The InChIKey is AWHHIXRPJLISMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4/c1-2-16-10-6-7-13-22(16)17-11-12-19-18(21-17)20-14-15-8-4-3-5-9-15/h3-5,8-9,11-12,16H,2,6-7,10,13-14H2,1H3,(H,19,20,21).
What are the key properties of N-benzyl-4-(2-ethylpiperidin-1-yl)pyrimidin-2-amine?
N-benzyl-4-(2-ethylpiperidin-1-yl)pyrimidin-2-amine has a molecular weight of 296.42 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-(2-ethylpiperidin-1-yl)pyrimidin-2-amine is sourced from PubChem (CID 112889620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).