N-methyl-2-quinolin-4-ylpyrimidin-4-amine

C14H12N4 — CID 63867656

IUPACN-methyl-2-quinolin-4-ylpyrimidin-4-amine
SMILESCNc1ccnc(-c2ccnc3ccccc23)n1
InChIInChI=1S/C14H12N4/c1-15-13-7-9-17-14(18-13)11-6-8-16-12-5-3-2-4-10(11)12/h2-9H,1H3,(H,15,17,18)
InChIKeyCOTUNKFPGKBOAG-UHFFFAOYSA-N
MW236.28 g/mol
LogP2.73
Rot. Bonds2

About N-methyl-2-quinolin-4-ylpyrimidin-4-amine

N-methyl-2-quinolin-4-ylpyrimidin-4-amine (PubChem CID 63867656) has the molecular formula C14H12N4 and a molecular weight of 236.28 g/mol. Its IUPAC name is N-methyl-2-quinolin-4-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-methyl-2-quinolin-4-ylpyrimidin-4-amine
PubChem CID63867656
Molecular FormulaC14H12N4
Molecular Weight236.28 g/mol
Exact Mass236.11
IUPAC NameN-methyl-2-quinolin-4-ylpyrimidin-4-amine
SMILESCNc1ccnc(-c2ccnc3ccccc23)n1
InChIInChI=1S/C14H12N4/c1-15-13-7-9-17-14(18-13)11-6-8-16-12-5-3-2-4-10(11)12/h2-9H,1H3,(H,15,17,18)
InChIKeyCOTUNKFPGKBOAG-UHFFFAOYSA-N
XLogP2.73
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.28
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-pyrimidin-2-ylquinoline
CID 123157198
N-methyl-6-propyl-2-quinolin-4-ylpyrimidin-4-amine
CID 63867494
N-methyl-2-(2,3,4-trimethoxyphenyl)pyrimidin-4-amine
CID 62203643
5-iodo-N,6-dimethyl-2-quinolin-4-ylpyrimidin-4-amine
CID 66297086
2-(5-bromoquinolin-8-yl)-N-methylpyrimidin-4-amine
CID 112618401
2-(5-fluoro-2-methylphenyl)-N-methylpyrimidin-4-amine
CID 62389112
4-(4,6-dichloro-5-fluoropyrimidin-2-yl)quinoline
CID 80550830
N-ethyl-5,6-dimethyl-2-quinolin-4-ylpyrimidin-4-amine
CID 63867940
4-(4-naphthalen-1-ylnaphthalen-1-yl)quinoline
CID 71174827
argon;4-methylquinoline
CID 175059803
ethane;4-methylquinoline
CID 90853056
2-(4-fluorophenyl)-N-methylpyrimidin-4-amine
CID 62190613

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-quinolin-4-ylpyrimidin-4-amine?
The IUPAC name of N-methyl-2-quinolin-4-ylpyrimidin-4-amine (CID 63867656) is N-methyl-2-quinolin-4-ylpyrimidin-4-amine.
What is the SMILES notation for N-methyl-2-quinolin-4-ylpyrimidin-4-amine?
The canonical SMILES for N-methyl-2-quinolin-4-ylpyrimidin-4-amine is CNc1ccnc(-c2ccnc3ccccc23)n1.
What is the InChIKey of N-methyl-2-quinolin-4-ylpyrimidin-4-amine?
The InChIKey is COTUNKFPGKBOAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4/c1-15-13-7-9-17-14(18-13)11-6-8-16-12-5-3-2-4-10(11)12/h2-9H,1H3,(H,15,17,18).
What are the key properties of N-methyl-2-quinolin-4-ylpyrimidin-4-amine?
N-methyl-2-quinolin-4-ylpyrimidin-4-amine has a molecular weight of 236.28 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-quinolin-4-ylpyrimidin-4-amine is sourced from PubChem (CID 63867656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).