6-methyl-2-propan-2-yl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrimidin-4-amine

C18H23N3 — CID 60651523

IUPAC6-methyl-2-propan-2-yl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrimidin-4-amine
SMILESCc1cc(NC2CCc3ccccc3C2)nc(C(C)C)n1
InChIInChI=1S/C18H23N3/c1-12(2)18-19-13(3)10-17(21-18)20-16-9-8-14-6-4-5-7-15(14)11-16/h4-7,10,12,16H,8-9,11H2,1-3H3,(H,19,20,21)
InChIKeyALCFIZXMBPILCC-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.88
Rot. Bonds3

About 6-methyl-2-propan-2-yl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrimidin-4-amine

6-methyl-2-propan-2-yl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrimidin-4-amine (PubChem CID 60651523) has the molecular formula C18H23N3 and a molecular weight of 281.40 g/mol. Its IUPAC name is 6-methyl-2-propan-2-yl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-methyl-2-propan-2-yl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrimidin-4-amine
PubChem CID60651523
Molecular FormulaC18H23N3
Molecular Weight281.40 g/mol
Exact Mass281.19
IUPAC Name6-methyl-2-propan-2-yl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrimidin-4-amine
SMILESCc1cc(NC2CCc3ccccc3C2)nc(C(C)C)n1
InChIInChI=1S/C18H23N3/c1-12(2)18-19-13(3)10-17(21-18)20-16-9-8-14-6-4-5-7-15(14)11-16/h4-7,10,12,16H,8-9,11H2,1-3H3,(H,19,20,21)
InChIKeyALCFIZXMBPILCC-UHFFFAOYSA-N
XLogP3.88
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-propan-2-yl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrimidin-4-amine?
The IUPAC name of 6-methyl-2-propan-2-yl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrimidin-4-amine (CID 60651523) is 6-methyl-2-propan-2-yl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrimidin-4-amine.
What is the SMILES notation for 6-methyl-2-propan-2-yl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrimidin-4-amine?
The canonical SMILES for 6-methyl-2-propan-2-yl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrimidin-4-amine is Cc1cc(NC2CCc3ccccc3C2)nc(C(C)C)n1.
What is the InChIKey of 6-methyl-2-propan-2-yl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrimidin-4-amine?
The InChIKey is ALCFIZXMBPILCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3/c1-12(2)18-19-13(3)10-17(21-18)20-16-9-8-14-6-4-5-7-15(14)11-16/h4-7,10,12,16H,8-9,11H2,1-3H3,(H,19,20,21).
What are the key properties of 6-methyl-2-propan-2-yl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrimidin-4-amine?
6-methyl-2-propan-2-yl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrimidin-4-amine has a molecular weight of 281.40 g/mol, XLogP of 3.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-propan-2-yl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrimidin-4-amine is sourced from PubChem (CID 60651523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).