6-N-methyl-4-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrimidine-4,6-diamine

C15H18N4 — CID 80759856

IUPAC6-N-methyl-4-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrimidine-4,6-diamine
SMILESCNc1cc(Nc2cccc3c2CCCC3)ncn1
InChIInChI=1S/C15H18N4/c1-16-14-9-15(18-10-17-14)19-13-8-4-6-11-5-2-3-7-12(11)13/h4,6,8-10H,2-3,5,7H2,1H3,(H2,16,17,18,19)
InChIKeyRZZOWJRSJZOOON-UHFFFAOYSA-N
MW254.34 g/mol
LogP3.14
Rot. Bonds3

About 6-N-methyl-4-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrimidine-4,6-diamine

6-N-methyl-4-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrimidine-4,6-diamine (PubChem CID 80759856) has the molecular formula C15H18N4 and a molecular weight of 254.34 g/mol. Its IUPAC name is 6-N-methyl-4-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-methyl-4-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrimidine-4,6-diamine
PubChem CID80759856
Molecular FormulaC15H18N4
Molecular Weight254.34 g/mol
Exact Mass254.15
IUPAC Name6-N-methyl-4-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrimidine-4,6-diamine
SMILESCNc1cc(Nc2cccc3c2CCCC3)ncn1
InChIInChI=1S/C15H18N4/c1-16-14-9-15(18-10-17-14)19-13-8-4-6-11-5-2-3-7-12(11)13/h4,6,8-10H,2-3,5,7H2,1H3,(H2,16,17,18,19)
InChIKeyRZZOWJRSJZOOON-UHFFFAOYSA-N
XLogP3.14
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.34
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-N-methyl-4-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrimidine-4,6-diamine?
The IUPAC name of 6-N-methyl-4-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrimidine-4,6-diamine (CID 80759856) is 6-N-methyl-4-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-methyl-4-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-methyl-4-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrimidine-4,6-diamine is CNc1cc(Nc2cccc3c2CCCC3)ncn1.
What is the InChIKey of 6-N-methyl-4-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrimidine-4,6-diamine?
The InChIKey is RZZOWJRSJZOOON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4/c1-16-14-9-15(18-10-17-14)19-13-8-4-6-11-5-2-3-7-12(11)13/h4,6,8-10H,2-3,5,7H2,1H3,(H2,16,17,18,19).
What are the key properties of 6-N-methyl-4-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrimidine-4,6-diamine?
6-N-methyl-4-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrimidine-4,6-diamine has a molecular weight of 254.34 g/mol, XLogP of 3.14, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-methyl-4-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80759856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).