N-(6-methylpyrimidin-4-yl)-1,2,3,4-tetrahydroisoquinolin-5-amine

C14H16N4 — CID 80554683

IUPACN-(6-methylpyrimidin-4-yl)-1,2,3,4-tetrahydroisoquinolin-5-amine
SMILESCc1cc(Nc2cccc3c2CCNC3)ncn1
InChIInChI=1S/C14H16N4/c1-10-7-14(17-9-16-10)18-13-4-2-3-11-8-15-6-5-12(11)13/h2-4,7,9,15H,5-6,8H2,1H3,(H,16,17,18)
InChIKeyMIORFDMGAUSKDV-UHFFFAOYSA-N
MW240.31 g/mol
LogP2.17
Rot. Bonds2

About N-(6-methylpyrimidin-4-yl)-1,2,3,4-tetrahydroisoquinolin-5-amine

N-(6-methylpyrimidin-4-yl)-1,2,3,4-tetrahydroisoquinolin-5-amine (PubChem CID 80554683) has the molecular formula C14H16N4 and a molecular weight of 240.31 g/mol. Its IUPAC name is N-(6-methylpyrimidin-4-yl)-1,2,3,4-tetrahydroisoquinolin-5-amine.

Molecular Properties

Compound NameN-(6-methylpyrimidin-4-yl)-1,2,3,4-tetrahydroisoquinolin-5-amine
PubChem CID80554683
Molecular FormulaC14H16N4
Molecular Weight240.31 g/mol
Exact Mass240.14
IUPAC NameN-(6-methylpyrimidin-4-yl)-1,2,3,4-tetrahydroisoquinolin-5-amine
SMILESCc1cc(Nc2cccc3c2CCNC3)ncn1
InChIInChI=1S/C14H16N4/c1-10-7-14(17-9-16-10)18-13-4-2-3-11-8-15-6-5-12(11)13/h2-4,7,9,15H,5-6,8H2,1H3,(H,16,17,18)
InChIKeyMIORFDMGAUSKDV-UHFFFAOYSA-N
XLogP2.17
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(6-methylpyrimidin-4-yl)-1,2,3,4-tetrahydroisoquinolin-5-amine?
The IUPAC name of N-(6-methylpyrimidin-4-yl)-1,2,3,4-tetrahydroisoquinolin-5-amine (CID 80554683) is N-(6-methylpyrimidin-4-yl)-1,2,3,4-tetrahydroisoquinolin-5-amine.
What is the SMILES notation for N-(6-methylpyrimidin-4-yl)-1,2,3,4-tetrahydroisoquinolin-5-amine?
The canonical SMILES for N-(6-methylpyrimidin-4-yl)-1,2,3,4-tetrahydroisoquinolin-5-amine is Cc1cc(Nc2cccc3c2CCNC3)ncn1.
What is the InChIKey of N-(6-methylpyrimidin-4-yl)-1,2,3,4-tetrahydroisoquinolin-5-amine?
The InChIKey is MIORFDMGAUSKDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4/c1-10-7-14(17-9-16-10)18-13-4-2-3-11-8-15-6-5-12(11)13/h2-4,7,9,15H,5-6,8H2,1H3,(H,16,17,18).
What are the key properties of N-(6-methylpyrimidin-4-yl)-1,2,3,4-tetrahydroisoquinolin-5-amine?
N-(6-methylpyrimidin-4-yl)-1,2,3,4-tetrahydroisoquinolin-5-amine has a molecular weight of 240.31 g/mol, XLogP of 2.17, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methylpyrimidin-4-yl)-1,2,3,4-tetrahydroisoquinolin-5-amine is sourced from PubChem (CID 80554683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).