4-N-(2-methylquinolin-5-yl)pyrimidine-4,5,6-triamine

C14H14N6 — CID 19137237

IUPAC4-N-(2-methylquinolin-5-yl)pyrimidine-4,5,6-triamine
SMILESCc1ccc2c(Nc3ncnc(N)c3N)cccc2n1
InChIInChI=1S/C14H14N6/c1-8-5-6-9-10(19-8)3-2-4-11(9)20-14-12(15)13(16)17-7-18-14/h2-7H,15H2,1H3,(H3,16,17,18,20)
InChIKeyVLXHBLRGPITYTR-UHFFFAOYSA-N
MW266.31 g/mol
LogP2.24
Rot. Bonds2

About 4-N-(2-methylquinolin-5-yl)pyrimidine-4,5,6-triamine

4-N-(2-methylquinolin-5-yl)pyrimidine-4,5,6-triamine (PubChem CID 19137237) has the molecular formula C14H14N6 and a molecular weight of 266.31 g/mol. Its IUPAC name is 4-N-(2-methylquinolin-5-yl)pyrimidine-4,5,6-triamine.

Molecular Properties

Compound Name4-N-(2-methylquinolin-5-yl)pyrimidine-4,5,6-triamine
PubChem CID19137237
Molecular FormulaC14H14N6
Molecular Weight266.31 g/mol
Exact Mass266.13
IUPAC Name4-N-(2-methylquinolin-5-yl)pyrimidine-4,5,6-triamine
SMILESCc1ccc2c(Nc3ncnc(N)c3N)cccc2n1
InChIInChI=1S/C14H14N6/c1-8-5-6-9-10(19-8)3-2-4-11(9)20-14-12(15)13(16)17-7-18-14/h2-7H,15H2,1H3,(H3,16,17,18,20)
InChIKeyVLXHBLRGPITYTR-UHFFFAOYSA-N
XLogP2.24
TPSA102.74 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.31
LogP ≤ 52.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

6-chloro-4-N-(2-methylquinolin-5-yl)pyrimidine-4,5-diamine
CID 23477635
N'-[5-amino-6-[(2-methylquinolin-5-yl)amino]pyrimidin-4-yl]benzohydrazide
CID 19150697
6-N-[(4-chlorophenyl)methyl]-4-N-(2-methylquinolin-5-yl)pyrimidine-4,5,6-triamine
CID 19150610
6-N-[(4-fluorophenyl)methyl]-4-N-(2-methylquinolin-5-yl)pyrimidine-4,5,6-triamine
CID 19153840
6-(4-methylpiperidin-1-yl)-4-N-(2-methylquinolin-5-yl)pyrimidine-4,5-diamine
CID 19140413
3-[[5-amino-6-[(2-methylquinolin-5-yl)amino]pyrimidin-4-yl]-(2-cyanoethyl)amino]propanenitrile
CID 19141561
4-N-(6-methyl-2-pyridinyl)-6-N-quinolin-5-ylpyrimidine-4,5,6-triamine
CID 22542411
4-N-(2,3-dimethylphenyl)pyrimidine-4,5,6-triamine
CID 19137100
N'-[5-amino-6-[(2-methylquinolin-5-yl)amino]pyrimidin-4-yl]pyridine-2-carbohydrazide
CID 19152023
4-N-ethyl-6-N-(2-methylquinolin-5-yl)-4-N-naphthalen-1-ylpyrimidine-4,5,6-triamine
CID 22545924
6-(3,4-dihydro-2H-quinolin-1-yl)-4-N-(2-methylquinolin-5-yl)pyrimidine-4,5-diamine
CID 19147420
6-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-N-(2-methylquinolin-5-yl)pyrimidine-4,5,6-triamine
CID 22541782

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-methylquinolin-5-yl)pyrimidine-4,5,6-triamine?
The IUPAC name of 4-N-(2-methylquinolin-5-yl)pyrimidine-4,5,6-triamine (CID 19137237) is 4-N-(2-methylquinolin-5-yl)pyrimidine-4,5,6-triamine.
What is the SMILES notation for 4-N-(2-methylquinolin-5-yl)pyrimidine-4,5,6-triamine?
The canonical SMILES for 4-N-(2-methylquinolin-5-yl)pyrimidine-4,5,6-triamine is Cc1ccc2c(Nc3ncnc(N)c3N)cccc2n1.
What is the InChIKey of 4-N-(2-methylquinolin-5-yl)pyrimidine-4,5,6-triamine?
The InChIKey is VLXHBLRGPITYTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N6/c1-8-5-6-9-10(19-8)3-2-4-11(9)20-14-12(15)13(16)17-7-18-14/h2-7H,15H2,1H3,(H3,16,17,18,20).
What are the key properties of 4-N-(2-methylquinolin-5-yl)pyrimidine-4,5,6-triamine?
4-N-(2-methylquinolin-5-yl)pyrimidine-4,5,6-triamine has a molecular weight of 266.31 g/mol, XLogP of 2.24, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-methylquinolin-5-yl)pyrimidine-4,5,6-triamine is sourced from PubChem (CID 19137237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).