N-methyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrimidin-2-amine

C15H17N3 — CID 116900518

IUPACN-methyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrimidin-2-amine
SMILESCNc1nccc(-c2ccc3c(c2)CCCC3)n1
InChIInChI=1S/C15H17N3/c1-16-15-17-9-8-14(18-15)13-7-6-11-4-2-3-5-12(11)10-13/h6-10H,2-5H2,1H3,(H,16,17,18)
InChIKeyWGZKXYNUFXZYOW-UHFFFAOYSA-N
MW239.32 g/mol
LogP3.06
Rot. Bonds2

About N-methyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrimidin-2-amine

N-methyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrimidin-2-amine (PubChem CID 116900518) has the molecular formula C15H17N3 and a molecular weight of 239.32 g/mol. Its IUPAC name is N-methyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-methyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrimidin-2-amine
PubChem CID116900518
Molecular FormulaC15H17N3
Molecular Weight239.32 g/mol
Exact Mass239.14
IUPAC NameN-methyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrimidin-2-amine
SMILESCNc1nccc(-c2ccc3c(c2)CCCC3)n1
InChIInChI=1S/C15H17N3/c1-16-15-17-9-8-14(18-15)13-7-6-11-4-2-3-5-12(11)10-13/h6-10H,2-5H2,1H3,(H,16,17,18)
InChIKeyWGZKXYNUFXZYOW-UHFFFAOYSA-N
XLogP3.06
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(2,3-dihydro-1H-inden-5-yl)pyrimidin-2-yl]hydrazine
CID 116904113
1-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrimidin-2-yl]ethanone
CID 116901436
4-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrimidine-2-carboxylic acid
CID 116899724
N-[[4-(2,3-dihydro-1H-inden-5-yl)pyrimidin-2-yl]methyl]ethanamine
CID 116898504
2-[4-(2,3-dihydro-1H-inden-5-yl)pyrimidin-2-yl]-2-methylpropan-1-amine
CID 116897977
4-(6-methoxynaphthalen-2-yl)-N-methylpyrimidin-2-amine
CID 116900581
N-methyl-4-(2-methyl-1,3-benzoxazol-5-yl)pyrimidin-2-amine
CID 116900562
4-(2,3-dihydro-1H-inden-5-yl)-N-methyl-1,3-oxazol-2-amine
CID 116832476
6-(2,3-dihydro-1H-inden-5-yl)-2-(methylamino)pyridine-3-carbonitrile
CID 82119162
3-[4-(2,3-dihydro-1H-inden-5-yl)pyrimidin-2-yl]propanenitrile
CID 116901099
4-[2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-methylpyrimidin-2-amine
CID 142175941
4-(3,4-dihydro-2H-chromen-8-yl)-N-methylpyrimidin-2-amine
CID 114747360

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrimidin-2-amine?
The IUPAC name of N-methyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrimidin-2-amine (CID 116900518) is N-methyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrimidin-2-amine.
What is the SMILES notation for N-methyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrimidin-2-amine?
The canonical SMILES for N-methyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrimidin-2-amine is CNc1nccc(-c2ccc3c(c2)CCCC3)n1.
What is the InChIKey of N-methyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrimidin-2-amine?
The InChIKey is WGZKXYNUFXZYOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3/c1-16-15-17-9-8-14(18-15)13-7-6-11-4-2-3-5-12(11)10-13/h6-10H,2-5H2,1H3,(H,16,17,18).
What are the key properties of N-methyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrimidin-2-amine?
N-methyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrimidin-2-amine has a molecular weight of 239.32 g/mol, XLogP of 3.06, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrimidin-2-amine is sourced from PubChem (CID 116900518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).