5-(1,2,3,4-tetrahydroisoquinolin-6-yl)pyrimidine-2,4-diamine;hydrochloride

C13H16ClN5 — CID 175909095

IUPAC5-(1,2,3,4-tetrahydroisoquinolin-6-yl)pyrimidine-2,4-diamine;hydrochloride
SMILESCl.Nc1ncc(-c2ccc3c(c2)CCNC3)c(N)n1
InChIInChI=1S/C13H15N5.ClH/c14-12-11(7-17-13(15)18-12)9-1-2-10-6-16-4-3-8(10)5-9;/h1-2,5,7,16H,3-4,6H2,(H4,14,15,17,18);1H
InChIKeyFSDFLJDRLMWOPH-UHFFFAOYSA-N
MW277.76 g/mol
LogP1.38
Rot. Bonds1

About 5-(1,2,3,4-tetrahydroisoquinolin-6-yl)pyrimidine-2,4-diamine;hydrochloride

5-(1,2,3,4-tetrahydroisoquinolin-6-yl)pyrimidine-2,4-diamine;hydrochloride (PubChem CID 175909095) has the molecular formula C13H16ClN5 and a molecular weight of 277.76 g/mol. Its IUPAC name is 5-(1,2,3,4-tetrahydroisoquinolin-6-yl)pyrimidine-2,4-diamine;hydrochloride.

Molecular Properties

Compound Name5-(1,2,3,4-tetrahydroisoquinolin-6-yl)pyrimidine-2,4-diamine;hydrochloride
PubChem CID175909095
Molecular FormulaC13H16ClN5
Molecular Weight277.76 g/mol
Exact Mass277.11
IUPAC Name5-(1,2,3,4-tetrahydroisoquinolin-6-yl)pyrimidine-2,4-diamine;hydrochloride
SMILESCl.Nc1ncc(-c2ccc3c(c2)CCNC3)c(N)n1
InChIInChI=1S/C13H15N5.ClH/c14-12-11(7-17-13(15)18-12)9-1-2-10-6-16-4-3-8(10)5-9;/h1-2,5,7,16H,3-4,6H2,(H4,14,15,17,18);1H
InChIKeyFSDFLJDRLMWOPH-UHFFFAOYSA-N
XLogP1.38
TPSA89.85 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.76
LogP ≤ 51.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(1,2,3,4-tetrahydroisoquinolin-6-yl)pyrimidine-2,4-diamine;hydrochloride?
The IUPAC name of 5-(1,2,3,4-tetrahydroisoquinolin-6-yl)pyrimidine-2,4-diamine;hydrochloride (CID 175909095) is 5-(1,2,3,4-tetrahydroisoquinolin-6-yl)pyrimidine-2,4-diamine;hydrochloride.
What is the SMILES notation for 5-(1,2,3,4-tetrahydroisoquinolin-6-yl)pyrimidine-2,4-diamine;hydrochloride?
The canonical SMILES for 5-(1,2,3,4-tetrahydroisoquinolin-6-yl)pyrimidine-2,4-diamine;hydrochloride is Cl.Nc1ncc(-c2ccc3c(c2)CCNC3)c(N)n1.
What is the InChIKey of 5-(1,2,3,4-tetrahydroisoquinolin-6-yl)pyrimidine-2,4-diamine;hydrochloride?
The InChIKey is FSDFLJDRLMWOPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5.ClH/c14-12-11(7-17-13(15)18-12)9-1-2-10-6-16-4-3-8(10)5-9;/h1-2,5,7,16H,3-4,6H2,(H4,14,15,17,18);1H.
What are the key properties of 5-(1,2,3,4-tetrahydroisoquinolin-6-yl)pyrimidine-2,4-diamine;hydrochloride?
5-(1,2,3,4-tetrahydroisoquinolin-6-yl)pyrimidine-2,4-diamine;hydrochloride has a molecular weight of 277.76 g/mol, XLogP of 1.38, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,2,3,4-tetrahydroisoquinolin-6-yl)pyrimidine-2,4-diamine;hydrochloride is sourced from PubChem (CID 175909095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).