N-[(2-chloro-6-fluorophenyl)methyl]-N-ethyl-6-[(3R)-piperidin-3-yl]pyrimidin-4-amine

C18H22ClFN4 — CID 95197067

IUPACN-[(2-chloro-6-fluorophenyl)methyl]-N-ethyl-6-[(3R)-piperidin-3-yl]pyrimidin-4-amine
SMILESCCN(Cc1c(F)cccc1Cl)c1cc([C@@H]2CCCNC2)ncn1
InChIInChI=1S/C18H22ClFN4/c1-2-24(11-14-15(19)6-3-7-16(14)20)18-9-17(22-12-23-18)13-5-4-8-21-10-13/h3,6-7,9,12-13,21H,2,4-5,8,10-11H2,1H3/t13-/m1/s1
InChIKeyKFDXTLNXHGQNCB-CYBMUJFWSA-N
MW348.85 g/mol
LogP3.76
Rot. Bonds5

About N-[(2-chloro-6-fluorophenyl)methyl]-N-ethyl-6-[(3R)-piperidin-3-yl]pyrimidin-4-amine

N-[(2-chloro-6-fluorophenyl)methyl]-N-ethyl-6-[(3R)-piperidin-3-yl]pyrimidin-4-amine (PubChem CID 95197067) has the molecular formula C18H22ClFN4 and a molecular weight of 348.85 g/mol. Its IUPAC name is N-[(2-chloro-6-fluorophenyl)methyl]-N-ethyl-6-[(3R)-piperidin-3-yl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(2-chloro-6-fluorophenyl)methyl]-N-ethyl-6-[(3R)-piperidin-3-yl]pyrimidin-4-amine
PubChem CID95197067
Molecular FormulaC18H22ClFN4
Molecular Weight348.85 g/mol
Exact Mass348.15
IUPAC NameN-[(2-chloro-6-fluorophenyl)methyl]-N-ethyl-6-[(3R)-piperidin-3-yl]pyrimidin-4-amine
SMILESCCN(Cc1c(F)cccc1Cl)c1cc([C@@H]2CCCNC2)ncn1
InChIInChI=1S/C18H22ClFN4/c1-2-24(11-14-15(19)6-3-7-16(14)20)18-9-17(22-12-23-18)13-5-4-8-21-10-13/h3,6-7,9,12-13,21H,2,4-5,8,10-11H2,1H3/t13-/m1/s1
InChIKeyKFDXTLNXHGQNCB-CYBMUJFWSA-N
XLogP3.76
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.85
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(2-chloro-6-fluorophenyl)methyl]-N-ethyl-6-[(3R)-piperidin-3-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

N-[(2-chloro-6-fluorophenyl)methyl]-N-ethyl-2-methyl-6-piperidin-4-ylpyrimidin-4-amine
CID 56703514
N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-6-[(3R)-piperidin-3-yl]pyrimidin-4-amine
CID 95207906
N-[(2-chloro-6-fluorophenyl)methyl]-N-ethylpiperidin-4-amine
CID 60806803
N-[(2,6-dichlorophenyl)methyl]-N-ethylpiperidin-3-amine
CID 63643457
N-(3-chloro-2-fluorophenyl)-6-[(3R)-piperidin-3-yl]pyrido[3,4-d]pyrimidin-4-amine
CID 166539481
N-methyl-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-6-[(3R)-piperidin-3-yl]pyrimidin-4-amine
CID 95219621
N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpyrrolidine-3-carboxamide;hydrochloride
CID 119682901
8-fluoro-4-piperidin-3-ylquinazoline
CID 105489373
(3S)-N-[(2-chloro-6-fluorophenyl)methyl]-N-(pyridin-2-ylmethyl)pyrrolidin-3-amine
CID 69063197
N-[(2-chloro-6-fluorophenyl)methyl]-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide
CID 170504651
N-[(2,6-difluorophenyl)methyl]-N-methylpiperidin-3-amine
CID 55248730
N-[(2,6-dichlorophenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine
CID 113267788

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-N-ethyl-6-[(3R)-piperidin-3-yl]pyrimidin-4-amine?
The IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-N-ethyl-6-[(3R)-piperidin-3-yl]pyrimidin-4-amine (CID 95197067) is N-[(2-chloro-6-fluorophenyl)methyl]-N-ethyl-6-[(3R)-piperidin-3-yl]pyrimidin-4-amine.
What is the SMILES notation for N-[(2-chloro-6-fluorophenyl)methyl]-N-ethyl-6-[(3R)-piperidin-3-yl]pyrimidin-4-amine?
The canonical SMILES for N-[(2-chloro-6-fluorophenyl)methyl]-N-ethyl-6-[(3R)-piperidin-3-yl]pyrimidin-4-amine is CCN(Cc1c(F)cccc1Cl)c1cc([C@@H]2CCCNC2)ncn1.
What is the InChIKey of N-[(2-chloro-6-fluorophenyl)methyl]-N-ethyl-6-[(3R)-piperidin-3-yl]pyrimidin-4-amine?
The InChIKey is KFDXTLNXHGQNCB-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H22ClFN4/c1-2-24(11-14-15(19)6-3-7-16(14)20)18-9-17(22-12-23-18)13-5-4-8-21-10-13/h3,6-7,9,12-13,21H,2,4-5,8,10-11H2,1H3/t13-/m1/s1.
What are the key properties of N-[(2-chloro-6-fluorophenyl)methyl]-N-ethyl-6-[(3R)-piperidin-3-yl]pyrimidin-4-amine?
N-[(2-chloro-6-fluorophenyl)methyl]-N-ethyl-6-[(3R)-piperidin-3-yl]pyrimidin-4-amine has a molecular weight of 348.85 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-fluorophenyl)methyl]-N-ethyl-6-[(3R)-piperidin-3-yl]pyrimidin-4-amine is sourced from PubChem (CID 95197067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).