6-chloro-2-methyl-N-[4-(piperidin-1-ylmethyl)phenyl]pyrimidin-4-amine

C17H21ClN4 — CID 108776133

IUPAC6-chloro-2-methyl-N-[4-(piperidin-1-ylmethyl)phenyl]pyrimidin-4-amine
SMILESCc1nc(Cl)cc(Nc2ccc(CN3CCCCC3)cc2)n1
InChIInChI=1S/C17H21ClN4/c1-13-19-16(18)11-17(20-13)21-15-7-5-14(6-8-15)12-22-9-3-2-4-10-22/h5-8,11H,2-4,9-10,12H2,1H3,(H,19,20,21)
InChIKeyREWGAJFFGMPQAN-UHFFFAOYSA-N
MW316.84 g/mol
LogP4.17
Rot. Bonds4

About 6-chloro-2-methyl-N-[4-(piperidin-1-ylmethyl)phenyl]pyrimidin-4-amine

6-chloro-2-methyl-N-[4-(piperidin-1-ylmethyl)phenyl]pyrimidin-4-amine (PubChem CID 108776133) has the molecular formula C17H21ClN4 and a molecular weight of 316.84 g/mol. Its IUPAC name is 6-chloro-2-methyl-N-[4-(piperidin-1-ylmethyl)phenyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-2-methyl-N-[4-(piperidin-1-ylmethyl)phenyl]pyrimidin-4-amine
PubChem CID108776133
Molecular FormulaC17H21ClN4
Molecular Weight316.84 g/mol
Exact Mass316.15
IUPAC Name6-chloro-2-methyl-N-[4-(piperidin-1-ylmethyl)phenyl]pyrimidin-4-amine
SMILESCc1nc(Cl)cc(Nc2ccc(CN3CCCCC3)cc2)n1
InChIInChI=1S/C17H21ClN4/c1-13-19-16(18)11-17(20-13)21-15-7-5-14(6-8-15)12-22-9-3-2-4-10-22/h5-8,11H,2-4,9-10,12H2,1H3,(H,19,20,21)
InChIKeyREWGAJFFGMPQAN-UHFFFAOYSA-N
XLogP4.17
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.84
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-chloro-2-methyl-N-[4-(piperidin-1-ylmethyl)phenyl]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

6-chloro-2-methyl-N-(4-pyrrolidin-1-ylphenyl)pyrimidin-4-amine
CID 62923074
4,6-dimethyl-N-[4-(piperidin-1-ylmethyl)phenyl]pyrimidin-2-amine
CID 108776126
2-methyl-N-[4-(pyrrolidin-1-ylmethyl)phenyl]thieno[2,3-b]pyridin-6-amine
CID 177202491
6-chloro-2-methyl-N-(4-propan-2-ylphenyl)pyrimidin-4-amine
CID 63549748
2-methyl-N-[4-(morpholin-4-ylmethyl)phenyl]-6-phenylpyrimidin-4-amine
CID 108773218
N-methyl-4-(piperidin-1-ylmethyl)aniline
CID 18319987
6-methyl-N-[4-(piperidin-1-ylmethyl)phenyl]-1H-benzimidazol-2-amine
CID 110377051
methyl 2-[4-[4-[(6-chloro-2-methylpyrimidin-4-yl)amino]phenyl]piperazin-1-yl]acetate
CID 133287561
1-[(4-methylphenyl)methyl]azepane
CID 3951815
4-[[2-chloro-6-[4-(morpholin-4-ylmethyl)anilino]-4-pyridinyl]oxy]-3,5-dimethylbenzonitrile
CID 134157828
ethyl 6-[4-(piperidin-1-ylmethyl)anilino]pyridazine-3-carboxylate
CID 108776111
azepan-1-yl-[6-(4-ethylanilino)-2-methylpyrimidin-4-yl]methanone
CID 112847776

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-methyl-N-[4-(piperidin-1-ylmethyl)phenyl]pyrimidin-4-amine?
The IUPAC name of 6-chloro-2-methyl-N-[4-(piperidin-1-ylmethyl)phenyl]pyrimidin-4-amine (CID 108776133) is 6-chloro-2-methyl-N-[4-(piperidin-1-ylmethyl)phenyl]pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-2-methyl-N-[4-(piperidin-1-ylmethyl)phenyl]pyrimidin-4-amine?
The canonical SMILES for 6-chloro-2-methyl-N-[4-(piperidin-1-ylmethyl)phenyl]pyrimidin-4-amine is Cc1nc(Cl)cc(Nc2ccc(CN3CCCCC3)cc2)n1.
What is the InChIKey of 6-chloro-2-methyl-N-[4-(piperidin-1-ylmethyl)phenyl]pyrimidin-4-amine?
The InChIKey is REWGAJFFGMPQAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN4/c1-13-19-16(18)11-17(20-13)21-15-7-5-14(6-8-15)12-22-9-3-2-4-10-22/h5-8,11H,2-4,9-10,12H2,1H3,(H,19,20,21).
What are the key properties of 6-chloro-2-methyl-N-[4-(piperidin-1-ylmethyl)phenyl]pyrimidin-4-amine?
6-chloro-2-methyl-N-[4-(piperidin-1-ylmethyl)phenyl]pyrimidin-4-amine has a molecular weight of 316.84 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-methyl-N-[4-(piperidin-1-ylmethyl)phenyl]pyrimidin-4-amine is sourced from PubChem (CID 108776133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).