N-[2-(3-chlorophenyl)ethyl]-2-(2-ethylpiperidin-1-yl)pyrimidin-4-amine

C19H25ClN4 — CID 112900935

IUPACN-[2-(3-chlorophenyl)ethyl]-2-(2-ethylpiperidin-1-yl)pyrimidin-4-amine
SMILESCCC1CCCCN1c1nccc(NCCc2cccc(Cl)c2)n1
InChIInChI=1S/C19H25ClN4/c1-2-17-8-3-4-13-24(17)19-22-12-10-18(23-19)21-11-9-15-6-5-7-16(20)14-15/h5-7,10,12,14,17H,2-4,8-9,11,13H2,1H3,(H,21,22,23)
InChIKeyQNKFHSWYRSTTHI-UHFFFAOYSA-N
MW344.89 g/mol
LogP4.55
Rot. Bonds6

About N-[2-(3-chlorophenyl)ethyl]-2-(2-ethylpiperidin-1-yl)pyrimidin-4-amine

N-[2-(3-chlorophenyl)ethyl]-2-(2-ethylpiperidin-1-yl)pyrimidin-4-amine (PubChem CID 112900935) has the molecular formula C19H25ClN4 and a molecular weight of 344.89 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)ethyl]-2-(2-ethylpiperidin-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)ethyl]-2-(2-ethylpiperidin-1-yl)pyrimidin-4-amine
PubChem CID112900935
Molecular FormulaC19H25ClN4
Molecular Weight344.89 g/mol
Exact Mass344.18
IUPAC NameN-[2-(3-chlorophenyl)ethyl]-2-(2-ethylpiperidin-1-yl)pyrimidin-4-amine
SMILESCCC1CCCCN1c1nccc(NCCc2cccc(Cl)c2)n1
InChIInChI=1S/C19H25ClN4/c1-2-17-8-3-4-13-24(17)19-22-12-10-18(23-19)21-11-9-15-6-5-7-16(20)14-15/h5-7,10,12,14,17H,2-4,8-9,11,13H2,1H3,(H,21,22,23)
InChIKeyQNKFHSWYRSTTHI-UHFFFAOYSA-N
XLogP4.55
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.89
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-[[2-(2-ethylpiperidin-1-yl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide
CID 112896861
N-[2-(3-chlorophenyl)ethyl]-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine
CID 112888142
N-(3-chlorophenyl)-2-(2-ethylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109312492
[6-[2-(3-chlorophenyl)ethylamino]-3-pyridinyl]-(2-ethylpiperidin-1-yl)methanone
CID 109161654
4-[4-[2-(3-chlorophenyl)ethylamino]pyrimidin-2-yl]piperazine-1-carbaldehyde
CID 112888740
N-(5-chloro-2-methylphenyl)-2-(2-ethylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109312495
N-(4-bromophenyl)-2-(2-ethylpiperidin-1-yl)pyrimidin-4-amine
CID 112900944
4-[2-[[2-[2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]amino]ethyl]phenol
CID 117080479
6-(2-ethylpiperidin-1-yl)-N-[2-(3-methoxyphenyl)ethyl]-2-methylpyrimidin-4-amine
CID 112874201
N-(2,3-dichlorophenyl)-2-(2-ethylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109312543
N-[2-(3-chlorophenyl)ethyl]-2-(2-ethylpiperidine-1-carbonyl)pyridine-4-carboxamide
CID 109090207
N-cyclopropyl-2-(2-ethylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109295796

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)ethyl]-2-(2-ethylpiperidin-1-yl)pyrimidin-4-amine?
The IUPAC name of N-[2-(3-chlorophenyl)ethyl]-2-(2-ethylpiperidin-1-yl)pyrimidin-4-amine (CID 112900935) is N-[2-(3-chlorophenyl)ethyl]-2-(2-ethylpiperidin-1-yl)pyrimidin-4-amine.
What is the SMILES notation for N-[2-(3-chlorophenyl)ethyl]-2-(2-ethylpiperidin-1-yl)pyrimidin-4-amine?
The canonical SMILES for N-[2-(3-chlorophenyl)ethyl]-2-(2-ethylpiperidin-1-yl)pyrimidin-4-amine is CCC1CCCCN1c1nccc(NCCc2cccc(Cl)c2)n1.
What is the InChIKey of N-[2-(3-chlorophenyl)ethyl]-2-(2-ethylpiperidin-1-yl)pyrimidin-4-amine?
The InChIKey is QNKFHSWYRSTTHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25ClN4/c1-2-17-8-3-4-13-24(17)19-22-12-10-18(23-19)21-11-9-15-6-5-7-16(20)14-15/h5-7,10,12,14,17H,2-4,8-9,11,13H2,1H3,(H,21,22,23).
What are the key properties of N-[2-(3-chlorophenyl)ethyl]-2-(2-ethylpiperidin-1-yl)pyrimidin-4-amine?
N-[2-(3-chlorophenyl)ethyl]-2-(2-ethylpiperidin-1-yl)pyrimidin-4-amine has a molecular weight of 344.89 g/mol, XLogP of 4.55, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)ethyl]-2-(2-ethylpiperidin-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 112900935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).