2-(3,5-dimethyl-1-adamantyl)-5-fluoro-6-methylpyrimidin-4-amine

C17H24FN3 — CID 79990698

IUPAC2-(3,5-dimethyl-1-adamantyl)-5-fluoro-6-methylpyrimidin-4-amine
SMILESCc1nc(C23CC4CC(C)(CC(C)(C4)C2)C3)nc(N)c1F
InChIInChI=1S/C17H24FN3/c1-10-12(18)13(19)21-14(20-10)17-6-11-4-15(2,8-17)7-16(3,5-11)9-17/h11H,4-9H2,1-3H3,(H2,19,20,21)
InChIKeySFEFEYPLBNLNPQ-UHFFFAOYSA-N
MW289.40 g/mol
LogP3.75
Rot. Bonds1

About 2-(3,5-dimethyl-1-adamantyl)-5-fluoro-6-methylpyrimidin-4-amine

2-(3,5-dimethyl-1-adamantyl)-5-fluoro-6-methylpyrimidin-4-amine (PubChem CID 79990698) has the molecular formula C17H24FN3 and a molecular weight of 289.40 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1-adamantyl)-5-fluoro-6-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(3,5-dimethyl-1-adamantyl)-5-fluoro-6-methylpyrimidin-4-amine
PubChem CID79990698
Molecular FormulaC17H24FN3
Molecular Weight289.40 g/mol
Exact Mass289.20
IUPAC Name2-(3,5-dimethyl-1-adamantyl)-5-fluoro-6-methylpyrimidin-4-amine
SMILESCc1nc(C23CC4CC(C)(CC(C)(C4)C2)C3)nc(N)c1F
InChIInChI=1S/C17H24FN3/c1-10-12(18)13(19)21-14(20-10)17-6-11-4-15(2,8-17)7-16(3,5-11)9-17/h11H,4-9H2,1-3H3,(H2,19,20,21)
InChIKeySFEFEYPLBNLNPQ-UHFFFAOYSA-N
XLogP3.75
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-Diamino-5-adamantyl-6-methylpyrimidine
CID 64287
2,4-Diamino-5-(1-adamantyl)-6-ethylpyrimidine
CID 64316
2-(1-Adamantyl)-4-methyl-6-(trifluoromethyl)pyrimidine
CID 22950922
N-ethyl-2-(3-ethylcyclohexyl)-5-fluoro-6-methylpyrimidin-4-amine
CID 65997606
5-Fluoro-6-methyl-2-(3-methylcyclohexyl)pyrimidin-4-amine
CID 65997776
5-Fluoro-6-methyl-2-(4-propylcyclohexyl)pyrimidin-4-amine
CID 65997784
5-fluoro-N,6-dimethyl-2-(3-methylcyclohexyl)pyrimidin-4-amine
CID 65997790
2-(3-ethylcyclohexyl)-5-fluoro-6-methyl-N-propylpyrimidin-4-amine
CID 65997813
5-Fluoro-6-methyl-2-(4-propan-2-ylcyclohexyl)pyrimidin-4-amine
CID 65997979
2-(4-tert-butylcyclohexyl)-N-ethyl-5-fluoro-6-methylpyrimidin-4-amine
CID 65998000
2-(1-adamantyl)-N-ethyl-5-fluoro-6-methylpyrimidin-4-amine
CID 65998006
2-(4-Ethylcyclohexyl)-5-fluoro-6-methylpyrimidin-4-amine
CID 65998177

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1-adamantyl)-5-fluoro-6-methylpyrimidin-4-amine?
The IUPAC name of 2-(3,5-dimethyl-1-adamantyl)-5-fluoro-6-methylpyrimidin-4-amine (CID 79990698) is 2-(3,5-dimethyl-1-adamantyl)-5-fluoro-6-methylpyrimidin-4-amine.
What is the SMILES notation for 2-(3,5-dimethyl-1-adamantyl)-5-fluoro-6-methylpyrimidin-4-amine?
The canonical SMILES for 2-(3,5-dimethyl-1-adamantyl)-5-fluoro-6-methylpyrimidin-4-amine is Cc1nc(C23CC4CC(C)(CC(C)(C4)C2)C3)nc(N)c1F.
What is the InChIKey of 2-(3,5-dimethyl-1-adamantyl)-5-fluoro-6-methylpyrimidin-4-amine?
The InChIKey is SFEFEYPLBNLNPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN3/c1-10-12(18)13(19)21-14(20-10)17-6-11-4-15(2,8-17)7-16(3,5-11)9-17/h11H,4-9H2,1-3H3,(H2,19,20,21).
What are the key properties of 2-(3,5-dimethyl-1-adamantyl)-5-fluoro-6-methylpyrimidin-4-amine?
2-(3,5-dimethyl-1-adamantyl)-5-fluoro-6-methylpyrimidin-4-amine has a molecular weight of 289.40 g/mol, XLogP of 3.75, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1-adamantyl)-5-fluoro-6-methylpyrimidin-4-amine is sourced from PubChem (CID 79990698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).