4-chloro-6-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-2-amine

C13H13ClN4 — CID 1484265

IUPAC4-chloro-6-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-2-amine
SMILESNc1nc(Cl)cc(N2CCc3ccccc3C2)n1
InChIInChI=1S/C13H13ClN4/c14-11-7-12(17-13(15)16-11)18-6-5-9-3-1-2-4-10(9)8-18/h1-4,7H,5-6,8H2,(H2,15,16,17)
InChIKeyPGZIUNMRAGGEPR-UHFFFAOYSA-N
MW260.73 g/mol
LogP2.27
Rot. Bonds1

About 4-chloro-6-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-2-amine

4-chloro-6-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-2-amine (PubChem CID 1484265) has the molecular formula C13H13ClN4 and a molecular weight of 260.73 g/mol. Its IUPAC name is 4-chloro-6-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-chloro-6-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-2-amine
PubChem CID1484265
Molecular FormulaC13H13ClN4
Molecular Weight260.73 g/mol
Exact Mass260.08
IUPAC Name4-chloro-6-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-2-amine
SMILESNc1nc(Cl)cc(N2CCc3ccccc3C2)n1
InChIInChI=1S/C13H13ClN4/c14-11-7-12(17-13(15)16-11)18-6-5-9-3-1-2-4-10(9)8-18/h1-4,7H,5-6,8H2,(H2,15,16,17)
InChIKeyPGZIUNMRAGGEPR-UHFFFAOYSA-N
XLogP2.27
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.73
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(6-chloro-2-methylpyrimidin-4-yl)-3,4-dihydro-1H-isoquinoline
CID 62483560
4-chloro-6-[4-(2-chlorophenyl)piperazin-1-yl]pyrimidin-2-amine
CID 52569216
2-(6-chloro-2-pyridinyl)-3,4-dihydro-1H-isoquinoline
CID 53408781
4-methyl-6-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pyrimidin-2-amine
CID 78948022
4-(chloromethyl)-6-(3,4-dihydro-1H-isoquinolin-2-yl)-1,3,5-triazin-2-amine
CID 28688828
2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline
CID 112861158
3-(6-chloro-2-cyclopropylpyrimidin-4-yl)-1,2,4,5-tetrahydro-3-benzazepine
CID 80947338
3-(6-chloro-2-ethylpyrimidin-4-yl)-1,2,4,5-tetrahydro-3-benzazepine
CID 80936724
5-(3,4-dihydro-1H-isoquinolin-2-yl)pyrazin-2-amine
CID 80652373
4-(3,4-dihydro-1H-isoquinolin-2-yl)quinazolin-2-amine
CID 80749587
2-(6-chloro-2-methylpyrimidin-4-yl)-6-fluoro-3,4-dihydro-1H-isoquinoline
CID 133422510
6-(3,4-dihydro-1H-isoquinolin-2-yl)quinazoline-2,4-diamine
CID 90680235

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-2-amine?
The IUPAC name of 4-chloro-6-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-2-amine (CID 1484265) is 4-chloro-6-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-2-amine.
What is the SMILES notation for 4-chloro-6-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-2-amine?
The canonical SMILES for 4-chloro-6-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-2-amine is Nc1nc(Cl)cc(N2CCc3ccccc3C2)n1.
What is the InChIKey of 4-chloro-6-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-2-amine?
The InChIKey is PGZIUNMRAGGEPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN4/c14-11-7-12(17-13(15)16-11)18-6-5-9-3-1-2-4-10(9)8-18/h1-4,7H,5-6,8H2,(H2,15,16,17).
What are the key properties of 4-chloro-6-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-2-amine?
4-chloro-6-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-2-amine has a molecular weight of 260.73 g/mol, XLogP of 2.27, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-2-amine is sourced from PubChem (CID 1484265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).