2-N-methyl-4-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrimidine-2,4-diamine

C15H18N4 — CID 80760062

IUPAC2-N-methyl-4-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrimidine-2,4-diamine
SMILESCNc1nccc(Nc2cccc3c2CCCC3)n1
InChIInChI=1S/C15H18N4/c1-16-15-17-10-9-14(19-15)18-13-8-4-6-11-5-2-3-7-12(11)13/h4,6,8-10H,2-3,5,7H2,1H3,(H2,16,17,18,19)
InChIKeyKXDVZNHXEGZYAA-UHFFFAOYSA-N
MW254.34 g/mol
LogP3.14
Rot. Bonds3

About 2-N-methyl-4-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrimidine-2,4-diamine

2-N-methyl-4-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrimidine-2,4-diamine (PubChem CID 80760062) has the molecular formula C15H18N4 and a molecular weight of 254.34 g/mol. Its IUPAC name is 2-N-methyl-4-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-methyl-4-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrimidine-2,4-diamine
PubChem CID80760062
Molecular FormulaC15H18N4
Molecular Weight254.34 g/mol
Exact Mass254.15
IUPAC Name2-N-methyl-4-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrimidine-2,4-diamine
SMILESCNc1nccc(Nc2cccc3c2CCCC3)n1
InChIInChI=1S/C15H18N4/c1-16-15-17-10-9-14(19-15)18-13-8-4-6-11-5-2-3-7-12(11)13/h4,6,8-10H,2-3,5,7H2,1H3,(H2,16,17,18,19)
InChIKeyKXDVZNHXEGZYAA-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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Related Compounds

6-N-methyl-4-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrimidine-4,6-diamine
CID 80759856
5-chloro-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyridin-2-amine
CID 66218077
6-N-ethyl-2-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrazine-2,6-diamine
CID 80760259
2-N-methyl-4-N-phenylpyrimidine-2,4-diamine
CID 70186991
5-bromo-2-hydrazinyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrimidin-4-amine
CID 80920340
2-methylsulfanyl-4-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrimidine-4,6-diamine
CID 80760061
4-N-(5-fluoro-2-methylphenyl)-2-N-methylpyrimidine-2,4-diamine
CID 80762283
6-chloro-4-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrimidine-2,4-diamine
CID 80735055
5-bromo-4-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrimidine-2,4-diamine
CID 80759991
4-N-(4-methoxy-2-methylphenyl)-2-N-methylpyrimidine-2,4-diamine
CID 80824739
4-N-(2,5-dibromophenyl)-2-N-methylpyrimidine-2,4-diamine
CID 80802722
N-(2,3-dimethylphenyl)-2-hydrazinylpyrimidin-4-amine
CID 80928362

Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-4-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-methyl-4-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrimidine-2,4-diamine (CID 80760062) is 2-N-methyl-4-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-methyl-4-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-methyl-4-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrimidine-2,4-diamine is CNc1nccc(Nc2cccc3c2CCCC3)n1.
What is the InChIKey of 2-N-methyl-4-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrimidine-2,4-diamine?
The InChIKey is KXDVZNHXEGZYAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4/c1-16-15-17-10-9-14(19-15)18-13-8-4-6-11-5-2-3-7-12(11)13/h4,6,8-10H,2-3,5,7H2,1H3,(H2,16,17,18,19).
What are the key properties of 2-N-methyl-4-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrimidine-2,4-diamine?
2-N-methyl-4-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrimidine-2,4-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 2-N-methyl-4-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrimidine-2,4-diamine is sourced from PubChem (CID 80760062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).