(2-quinolin-3-ylpyrimidin-4-yl)methanamine

C14H12N4 — CID 112754156

IUPAC(2-quinolin-3-ylpyrimidin-4-yl)methanamine
SMILESNCc1ccnc(-c2cnc3ccccc3c2)n1
InChIInChI=1S/C14H12N4/c15-8-12-5-6-16-14(18-12)11-7-10-3-1-2-4-13(10)17-9-11/h1-7,9H,8,15H2
InChIKeyBGOQOBZJQKBBTG-UHFFFAOYSA-N
MW236.28 g/mol
LogP2.15
Rot. Bonds2

About (2-quinolin-3-ylpyrimidin-4-yl)methanamine

(2-quinolin-3-ylpyrimidin-4-yl)methanamine (PubChem CID 112754156) has the molecular formula C14H12N4 and a molecular weight of 236.28 g/mol. Its IUPAC name is (2-quinolin-3-ylpyrimidin-4-yl)methanamine.

Molecular Properties

Compound Name(2-quinolin-3-ylpyrimidin-4-yl)methanamine
PubChem CID112754156
Molecular FormulaC14H12N4
Molecular Weight236.28 g/mol
Exact Mass236.11
IUPAC Name(2-quinolin-3-ylpyrimidin-4-yl)methanamine
SMILESNCc1ccnc(-c2cnc3ccccc3c2)n1
InChIInChI=1S/C14H12N4/c15-8-12-5-6-16-14(18-12)11-7-10-3-1-2-4-13(10)17-9-11/h1-7,9H,8,15H2
InChIKeyBGOQOBZJQKBBTG-UHFFFAOYSA-N
XLogP2.15
TPSA64.69 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 ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-(bromomethyl)pyrimidin-2-yl]quinoline
CID 112754164
(2-naphthalen-2-ylpyrimidin-4-yl)methanamine
CID 62749153
3-[4-(4-phenylphenyl)-6-quinolin-3-yl-1,3,5-triazin-2-yl]quinoline
CID 122426515
[2-(aminomethyl)-4-pyridinyl]-quinolin-3-ylmethanone
CID 116601765
6-[4-(bromomethyl)pyrimidin-2-yl]quinoline
CID 114205846
3-pyridin-4-ylquinoline
CID 10081720
1-(2-quinolin-3-ylpyrimidin-4-yl)pyrrolidin-3-ol
CID 74243840
(2-isoquinolin-1-ylpyrimidin-4-yl)methanamine
CID 63948055
[2-(3,4-dichlorophenyl)pyrimidin-4-yl]methanamine
CID 81491774
3-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]quinoline
CID 58322543
3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinoline
CID 58322553
3-[4-[7-(4-quinolin-3-yl-1,3,5-triazin-2-yl)phenanthren-2-yl]-1,3,5-triazin-2-yl]quinoline
CID 121287279

Frequently Asked Questions

What is the IUPAC name of (2-quinolin-3-ylpyrimidin-4-yl)methanamine?
The IUPAC name of (2-quinolin-3-ylpyrimidin-4-yl)methanamine (CID 112754156) is (2-quinolin-3-ylpyrimidin-4-yl)methanamine.
What is the SMILES notation for (2-quinolin-3-ylpyrimidin-4-yl)methanamine?
The canonical SMILES for (2-quinolin-3-ylpyrimidin-4-yl)methanamine is NCc1ccnc(-c2cnc3ccccc3c2)n1.
What is the InChIKey of (2-quinolin-3-ylpyrimidin-4-yl)methanamine?
The InChIKey is BGOQOBZJQKBBTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4/c15-8-12-5-6-16-14(18-12)11-7-10-3-1-2-4-13(10)17-9-11/h1-7,9H,8,15H2.
What are the key properties of (2-quinolin-3-ylpyrimidin-4-yl)methanamine?
(2-quinolin-3-ylpyrimidin-4-yl)methanamine has a molecular weight of 236.28 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-quinolin-3-ylpyrimidin-4-yl)methanamine is sourced from PubChem (CID 112754156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).