N-[2-(3-chlorophenyl)ethyl]-2-methyl-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine

C19H25ClN4 — CID 112876534

IUPACN-[2-(3-chlorophenyl)ethyl]-2-methyl-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine
SMILESCc1nc(NCCc2cccc(Cl)c2)cc(N2CCCC(C)C2)n1
InChIInChI=1S/C19H25ClN4/c1-14-5-4-10-24(13-14)19-12-18(22-15(2)23-19)21-9-8-16-6-3-7-17(20)11-16/h3,6-7,11-12,14H,4-5,8-10,13H2,1-2H3,(H,21,22,23)
InChIKeyMEQBWJGAGKZEDU-UHFFFAOYSA-N
MW344.89 g/mol
LogP4.33
Rot. Bonds5

About N-[2-(3-chlorophenyl)ethyl]-2-methyl-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine

N-[2-(3-chlorophenyl)ethyl]-2-methyl-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine (PubChem CID 112876534) has the molecular formula C19H25ClN4 and a molecular weight of 344.89 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)ethyl]-2-methyl-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)ethyl]-2-methyl-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine
PubChem CID112876534
Molecular FormulaC19H25ClN4
Molecular Weight344.89 g/mol
Exact Mass344.18
IUPAC NameN-[2-(3-chlorophenyl)ethyl]-2-methyl-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine
SMILESCc1nc(NCCc2cccc(Cl)c2)cc(N2CCCC(C)C2)n1
InChIInChI=1S/C19H25ClN4/c1-14-5-4-10-24(13-14)19-12-18(22-15(2)23-19)21-9-8-16-6-3-7-17(20)11-16/h3,6-7,11-12,14H,4-5,8-10,13H2,1-2H3,(H,21,22,23)
InChIKeyMEQBWJGAGKZEDU-UHFFFAOYSA-N
XLogP4.33
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.89
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-2-methyl-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112871546
N',N'-dimethyl-N-[2-methyl-6-(3-methylpiperidin-1-yl)pyrimidin-4-yl]propane-1,3-diamine
CID 112870576
6-(azepan-1-yl)-N-[2-(4-chlorophenyl)ethyl]-2-methylpyrimidin-4-amine
CID 112874928
N-[2-(4-chlorophenyl)ethyl]-2-methyl-6-piperidin-1-ylpyrimidin-4-amine
CID 112868832
[6-[2-(3-chlorophenyl)ethylamino]pyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 109355144
N,2-dimethyl-6-[(3R)-3-methylpiperidin-1-yl]pyrimidin-4-amine
CID 129372098
2-methyl-N-(3-methylphenyl)-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112876539
[6-[2-(3-chlorophenyl)ethylamino]-2-methylpyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109363675
6-N-[2-(3-chlorophenyl)ethyl]-2-methyl-4-N-prop-2-enylpyrimidine-4,6-diamine
CID 112867720
N-[2-(3-chlorophenyl)ethyl]-4-(4-methylpiperidin-1-yl)pyrimidin-2-amine
CID 112885130
6-[2-(3-chlorophenyl)ethylamino]-2-methyl-N-propan-2-ylpyrimidine-4-carboxamide
CID 109360655
N-(3,4-difluorophenyl)-2-methyl-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112876634

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)ethyl]-2-methyl-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine?
The IUPAC name of N-[2-(3-chlorophenyl)ethyl]-2-methyl-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine (CID 112876534) is N-[2-(3-chlorophenyl)ethyl]-2-methyl-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine.
What is the SMILES notation for N-[2-(3-chlorophenyl)ethyl]-2-methyl-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine?
The canonical SMILES for N-[2-(3-chlorophenyl)ethyl]-2-methyl-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine is Cc1nc(NCCc2cccc(Cl)c2)cc(N2CCCC(C)C2)n1.
What is the InChIKey of N-[2-(3-chlorophenyl)ethyl]-2-methyl-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine?
The InChIKey is MEQBWJGAGKZEDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25ClN4/c1-14-5-4-10-24(13-14)19-12-18(22-15(2)23-19)21-9-8-16-6-3-7-17(20)11-16/h3,6-7,11-12,14H,4-5,8-10,13H2,1-2H3,(H,21,22,23).
What are the key properties of N-[2-(3-chlorophenyl)ethyl]-2-methyl-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine?
N-[2-(3-chlorophenyl)ethyl]-2-methyl-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine has a molecular weight of 344.89 g/mol, XLogP of 4.33, 5 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-methyl-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 112876534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).