(2-isoquinolin-1-ylpyrimidin-4-yl)methanamine

C14H12N4 — CID 63948055

IUPAC(2-isoquinolin-1-ylpyrimidin-4-yl)methanamine
SMILESNCc1ccnc(-c2nccc3ccccc23)n1
InChIInChI=1S/C14H12N4/c15-9-11-6-8-17-14(18-11)13-12-4-2-1-3-10(12)5-7-16-13/h1-8H,9,15H2
InChIKeyKTCSEKCVMSCLGC-UHFFFAOYSA-N
MW236.28 g/mol
LogP2.15
Rot. Bonds2

About (2-isoquinolin-1-ylpyrimidin-4-yl)methanamine

(2-isoquinolin-1-ylpyrimidin-4-yl)methanamine (PubChem CID 63948055) has the molecular formula C14H12N4 and a molecular weight of 236.28 g/mol. Its IUPAC name is (2-isoquinolin-1-ylpyrimidin-4-yl)methanamine.

Molecular Properties

Compound Name(2-isoquinolin-1-ylpyrimidin-4-yl)methanamine
PubChem CID63948055
Molecular FormulaC14H12N4
Molecular Weight236.28 g/mol
Exact Mass236.11
IUPAC Name(2-isoquinolin-1-ylpyrimidin-4-yl)methanamine
SMILESNCc1ccnc(-c2nccc3ccccc23)n1
InChIInChI=1S/C14H12N4/c15-9-11-6-8-17-14(18-11)13-12-4-2-1-3-10(12)5-7-16-13/h1-8H,9,15H2
InChIKeyKTCSEKCVMSCLGC-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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Frequently Asked Questions

What is the IUPAC name of (2-isoquinolin-1-ylpyrimidin-4-yl)methanamine?
The IUPAC name of (2-isoquinolin-1-ylpyrimidin-4-yl)methanamine (CID 63948055) is (2-isoquinolin-1-ylpyrimidin-4-yl)methanamine.
What is the SMILES notation for (2-isoquinolin-1-ylpyrimidin-4-yl)methanamine?
The canonical SMILES for (2-isoquinolin-1-ylpyrimidin-4-yl)methanamine is NCc1ccnc(-c2nccc3ccccc23)n1.
What is the InChIKey of (2-isoquinolin-1-ylpyrimidin-4-yl)methanamine?
The InChIKey is KTCSEKCVMSCLGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4/c15-9-11-6-8-17-14(18-11)13-12-4-2-1-3-10(12)5-7-16-13/h1-8H,9,15H2.
What are the key properties of (2-isoquinolin-1-ylpyrimidin-4-yl)methanamine?
(2-isoquinolin-1-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-isoquinolin-1-ylpyrimidin-4-yl)methanamine is sourced from PubChem (CID 63948055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).