6-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-yloxymethyl)pyrimidin-4-amine

C16H19N3O — CID 80654849

IUPAC6-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-yloxymethyl)pyrimidin-4-amine
SMILESCc1cc(N)nc(COC2CCCc3ccccc32)n1
InChIInChI=1S/C16H19N3O/c1-11-9-15(17)19-16(18-11)10-20-14-8-4-6-12-5-2-3-7-13(12)14/h2-3,5,7,9,14H,4,6,8,10H2,1H3,(H2,17,18,19)
InChIKeySHVJRBKQGXDLCJ-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.96
Rot. Bonds3

About 6-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-yloxymethyl)pyrimidin-4-amine

6-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-yloxymethyl)pyrimidin-4-amine (PubChem CID 80654849) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 6-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-yloxymethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-yloxymethyl)pyrimidin-4-amine
PubChem CID80654849
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name6-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-yloxymethyl)pyrimidin-4-amine
SMILESCc1cc(N)nc(COC2CCCc3ccccc32)n1
InChIInChI=1S/C16H19N3O/c1-11-9-15(17)19-16(18-11)10-20-14-8-4-6-12-5-2-3-7-13(12)14/h2-3,5,7,9,14H,4,6,8,10H2,1H3,(H2,17,18,19)
InChIKeySHVJRBKQGXDLCJ-UHFFFAOYSA-N
XLogP2.96
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-6-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pyrimidin-2-amine
CID 80859900
4-(1,2,3,4-tetrahydronaphthalen-1-yloxymethyl)-1,3-thiazol-2-amine
CID 43137896
3,5-dimethyl-2-(1,2,3,4-tetrahydronaphthalen-1-yloxymethyl)pyridin-4-amine
CID 103183059
5-chloro-2-(1,2,3,4-tetrahydronaphthalen-1-yloxymethyl)aniline
CID 62100757
4-fluoro-2-(1,2,3,4-tetrahydronaphthalen-1-yloxymethyl)aniline
CID 43443892
[5-methyl-4-(1,2,3,4-tetrahydronaphthalen-1-yloxymethyl)furan-2-yl]methanamine
CID 62457498
6-bromo-2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pyrimidin-4-amine
CID 116797621
[5-(1,2,3,4-tetrahydronaphthalen-1-yloxymethyl)thiophen-2-yl]methanamine
CID 107558127
4-(chloromethyl)-2-(1,2,3,4-tetrahydronaphthalen-1-yloxymethyl)-1,3-thiazole
CID 43138207
N-methyl-4-(1,2,3,4-tetrahydronaphthalen-1-yloxymethyl)pyridin-2-amine
CID 62465313
1-(2-chloroethoxy)-1,2,3,4-tetrahydronaphthalene
CID 43135615
2-[2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)ethyl]aniline
CID 62497436

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-yloxymethyl)pyrimidin-4-amine?
The IUPAC name of 6-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-yloxymethyl)pyrimidin-4-amine (CID 80654849) is 6-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-yloxymethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-yloxymethyl)pyrimidin-4-amine?
The canonical SMILES for 6-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-yloxymethyl)pyrimidin-4-amine is Cc1cc(N)nc(COC2CCCc3ccccc32)n1.
What is the InChIKey of 6-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-yloxymethyl)pyrimidin-4-amine?
The InChIKey is SHVJRBKQGXDLCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-11-9-15(17)19-16(18-11)10-20-14-8-4-6-12-5-2-3-7-13(12)14/h2-3,5,7,9,14H,4,6,8,10H2,1H3,(H2,17,18,19).
What are the key properties of 6-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-yloxymethyl)pyrimidin-4-amine?
6-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-yloxymethyl)pyrimidin-4-amine has a molecular weight of 269.35 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-yloxymethyl)pyrimidin-4-amine is sourced from PubChem (CID 80654849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).