N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-2-methylquinolin-4-amine

C21H25N5 — CID 133336114

IUPACN-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-2-methylquinolin-4-amine
SMILESCc1cc(N2CCC(Nc3cc(C)nc4ccccc34)CC2)nc(C)n1
InChIInChI=1S/C21H25N5/c1-14-12-20(18-6-4-5-7-19(18)23-14)25-17-8-10-26(11-9-17)21-13-15(2)22-16(3)24-21/h4-7,12-13,17H,8-11H2,1-3H3,(H,23,25)
InChIKeyABCCSYOKYRFULQ-UHFFFAOYSA-N
MW347.47 g/mol
LogP4.03
Rot. Bonds3

About N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-2-methylquinolin-4-amine

N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-2-methylquinolin-4-amine (PubChem CID 133336114) has the molecular formula C21H25N5 and a molecular weight of 347.47 g/mol. Its IUPAC name is N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-2-methylquinolin-4-amine.

Molecular Properties

Compound NameN-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-2-methylquinolin-4-amine
PubChem CID133336114
Molecular FormulaC21H25N5
Molecular Weight347.47 g/mol
Exact Mass347.21
IUPAC NameN-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-2-methylquinolin-4-amine
SMILESCc1cc(N2CCC(Nc3cc(C)nc4ccccc34)CC2)nc(C)n1
InChIInChI=1S/C21H25N5/c1-14-12-20(18-6-4-5-7-19(18)23-14)25-17-8-10-26(11-9-17)21-13-15(2)22-16(3)24-21/h4-7,12-13,17H,8-11H2,1-3H3,(H,23,25)
InChIKeyABCCSYOKYRFULQ-UHFFFAOYSA-N
XLogP4.03
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.47
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,6-dimethylpyrimidin-4-yl)-N-(2-fluorophenyl)piperidin-4-amine
CID 133330878
N-(1-tert-butylpiperidin-4-yl)-2-methylquinolin-4-amine
CID 166183861
2-methyl-N-(1-propylpiperidin-4-yl)quinolin-4-amine
CID 71899433
2-[4-[(2-methylquinolin-4-yl)amino]piperidin-1-yl]cyclohexan-1-ol
CID 133376301
N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-2-methylpyrimidin-4-amine
CID 136512883
3-[(2-methylquinolin-4-yl)amino]cyclopentane-1-carboxylic acid
CID 66032758
4-[[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]amino]-3-fluorobenzonitrile
CID 133336170
3-chloro-N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]pyridin-2-amine
CID 122141204
2-methyl-N-(3-methylcyclohexyl)quinolin-4-amine
CID 43428308
N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-6-methylpyrimidin-4-amine
CID 133336237
cyclopentyl-[3-[(2-methylquinolin-4-yl)amino]pyrrolidin-1-yl]methanone
CID 133366806
4-[[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]amino]pyridine-3-carboxamide
CID 154744321

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-2-methylquinolin-4-amine?
The IUPAC name of N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-2-methylquinolin-4-amine (CID 133336114) is N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-2-methylquinolin-4-amine.
What is the SMILES notation for N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-2-methylquinolin-4-amine?
The canonical SMILES for N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-2-methylquinolin-4-amine is Cc1cc(N2CCC(Nc3cc(C)nc4ccccc34)CC2)nc(C)n1.
What is the InChIKey of N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-2-methylquinolin-4-amine?
The InChIKey is ABCCSYOKYRFULQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5/c1-14-12-20(18-6-4-5-7-19(18)23-14)25-17-8-10-26(11-9-17)21-13-15(2)22-16(3)24-21/h4-7,12-13,17H,8-11H2,1-3H3,(H,23,25).
What are the key properties of N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-2-methylquinolin-4-amine?
N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-2-methylquinolin-4-amine has a molecular weight of 347.47 g/mol, XLogP of 4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-2-methylquinolin-4-amine is sourced from PubChem (CID 133336114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).