6-(4-methylpiperidin-1-yl)-4-N-(2-methylquinolin-5-yl)pyrimidine-4,5-diamine

C20H24N6 — CID 19140413

IUPAC6-(4-methylpiperidin-1-yl)-4-N-(2-methylquinolin-5-yl)pyrimidine-4,5-diamine
SMILESCc1ccc2c(Nc3ncnc(N4CCC(C)CC4)c3N)cccc2n1
InChIInChI=1S/C20H24N6/c1-13-8-10-26(11-9-13)20-18(21)19(22-12-23-20)25-17-5-3-4-16-15(17)7-6-14(2)24-16/h3-7,12-13H,8-11,21H2,1-2H3,(H,22,23,25)
InChIKeyGWFRGJNYUVXCMQ-UHFFFAOYSA-N
MW348.45 g/mol
LogP3.90
Rot. Bonds3

About 6-(4-methylpiperidin-1-yl)-4-N-(2-methylquinolin-5-yl)pyrimidine-4,5-diamine

6-(4-methylpiperidin-1-yl)-4-N-(2-methylquinolin-5-yl)pyrimidine-4,5-diamine (PubChem CID 19140413) has the molecular formula C20H24N6 and a molecular weight of 348.45 g/mol. Its IUPAC name is 6-(4-methylpiperidin-1-yl)-4-N-(2-methylquinolin-5-yl)pyrimidine-4,5-diamine.

Molecular Properties

Compound Name6-(4-methylpiperidin-1-yl)-4-N-(2-methylquinolin-5-yl)pyrimidine-4,5-diamine
PubChem CID19140413
Molecular FormulaC20H24N6
Molecular Weight348.45 g/mol
Exact Mass348.21
IUPAC Name6-(4-methylpiperidin-1-yl)-4-N-(2-methylquinolin-5-yl)pyrimidine-4,5-diamine
SMILESCc1ccc2c(Nc3ncnc(N4CCC(C)CC4)c3N)cccc2n1
InChIInChI=1S/C20H24N6/c1-13-8-10-26(11-9-13)20-18(21)19(22-12-23-20)25-17-5-3-4-16-15(17)7-6-14(2)24-16/h3-7,12-13H,8-11,21H2,1-2H3,(H,22,23,25)
InChIKeyGWFRGJNYUVXCMQ-UHFFFAOYSA-N
XLogP3.90
TPSA79.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-(2-methylquinolin-5-yl)pyrimidine-4,5,6-triamine
CID 19137237
6-(3,4-dihydro-2H-quinolin-1-yl)-4-N-(2-methylquinolin-5-yl)pyrimidine-4,5-diamine
CID 19147420
6-chloro-4-N-(2-methylquinolin-5-yl)pyrimidine-4,5-diamine
CID 23477635
1-[5-amino-6-[(2-methylquinolin-8-yl)amino]pyrimidin-4-yl]piperidine-4-carboxylic acid
CID 19144981
4-N-(2,4-dimethylphenyl)-6-(4-methylpiperidin-1-yl)pyrimidine-4,5-diamine
CID 19140271
methyl 2-[[5-amino-6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]amino]benzoate
CID 19140292
ethyl 2-[[5-amino-6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]amino]benzoate
CID 19140401
2-methyl-N-[6-(4-methylpiperazin-1-yl)-5-nitropyrimidin-4-yl]quinolin-5-amine
CID 23490235
4-N-(2,4-difluorophenyl)-6-(4-methylpiperidin-1-yl)pyrimidine-4,5-diamine
CID 19140387
4-N-(3-methoxyphenyl)-6-(4-methylpiperidin-1-yl)pyrimidine-4,5-diamine
CID 22543846
N'-[5-amino-6-[(2-methylquinolin-5-yl)amino]pyrimidin-4-yl]benzohydrazide
CID 19150697
6-N-[(4-fluorophenyl)methyl]-4-N-(2-methylquinolin-5-yl)pyrimidine-4,5,6-triamine
CID 19153840

Frequently Asked Questions

What is the IUPAC name of 6-(4-methylpiperidin-1-yl)-4-N-(2-methylquinolin-5-yl)pyrimidine-4,5-diamine?
The IUPAC name of 6-(4-methylpiperidin-1-yl)-4-N-(2-methylquinolin-5-yl)pyrimidine-4,5-diamine (CID 19140413) is 6-(4-methylpiperidin-1-yl)-4-N-(2-methylquinolin-5-yl)pyrimidine-4,5-diamine.
What is the SMILES notation for 6-(4-methylpiperidin-1-yl)-4-N-(2-methylquinolin-5-yl)pyrimidine-4,5-diamine?
The canonical SMILES for 6-(4-methylpiperidin-1-yl)-4-N-(2-methylquinolin-5-yl)pyrimidine-4,5-diamine is Cc1ccc2c(Nc3ncnc(N4CCC(C)CC4)c3N)cccc2n1.
What is the InChIKey of 6-(4-methylpiperidin-1-yl)-4-N-(2-methylquinolin-5-yl)pyrimidine-4,5-diamine?
The InChIKey is GWFRGJNYUVXCMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6/c1-13-8-10-26(11-9-13)20-18(21)19(22-12-23-20)25-17-5-3-4-16-15(17)7-6-14(2)24-16/h3-7,12-13H,8-11,21H2,1-2H3,(H,22,23,25).
What are the key properties of 6-(4-methylpiperidin-1-yl)-4-N-(2-methylquinolin-5-yl)pyrimidine-4,5-diamine?
6-(4-methylpiperidin-1-yl)-4-N-(2-methylquinolin-5-yl)pyrimidine-4,5-diamine has a molecular weight of 348.45 g/mol, XLogP of 3.90, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylpiperidin-1-yl)-4-N-(2-methylquinolin-5-yl)pyrimidine-4,5-diamine is sourced from PubChem (CID 19140413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).