4-N-(2,2-dimethylcyclohexyl)-5-fluoropyrimidine-2,4-diamine

C12H19FN4 — CID 80849472

IUPAC4-N-(2,2-dimethylcyclohexyl)-5-fluoropyrimidine-2,4-diamine
SMILESCC1(C)CCCCC1Nc1nc(N)ncc1F
InChIInChI=1S/C12H19FN4/c1-12(2)6-4-3-5-9(12)16-10-8(13)7-15-11(14)17-10/h7,9H,3-6H2,1-2H3,(H3,14,15,16,17)
InChIKeyBBCSBRNUTWWLCX-UHFFFAOYSA-N
MW238.31 g/mol
LogP2.58
Rot. Bonds2

About 4-N-(2,2-dimethylcyclohexyl)-5-fluoropyrimidine-2,4-diamine

4-N-(2,2-dimethylcyclohexyl)-5-fluoropyrimidine-2,4-diamine (PubChem CID 80849472) has the molecular formula C12H19FN4 and a molecular weight of 238.31 g/mol. Its IUPAC name is 4-N-(2,2-dimethylcyclohexyl)-5-fluoropyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(2,2-dimethylcyclohexyl)-5-fluoropyrimidine-2,4-diamine
PubChem CID80849472
Molecular FormulaC12H19FN4
Molecular Weight238.31 g/mol
Exact Mass238.16
IUPAC Name4-N-(2,2-dimethylcyclohexyl)-5-fluoropyrimidine-2,4-diamine
SMILESCC1(C)CCCCC1Nc1nc(N)ncc1F
InChIInChI=1S/C12H19FN4/c1-12(2)6-4-3-5-9(12)16-10-8(13)7-15-11(14)17-10/h7,9H,3-6H2,1-2H3,(H3,14,15,16,17)
InChIKeyBBCSBRNUTWWLCX-UHFFFAOYSA-N
XLogP2.58
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,2-dimethylcyclopentyl)-5-fluoro-2-hydrazinylpyrimidin-4-amine
CID 80929537
3-N-(2,2-dimethylcyclohexyl)pyrazine-2,3-diamine
CID 103753764
5-fluoro-4-N-(1-methylcyclohexyl)pyrimidine-2,4-diamine
CID 80819842
2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-[(1R)-2,2-dimethylcyclohexyl]-5-fluoropyrimidin-4-amine
CID 138646725
2-[(2-amino-5-fluoropyrimidin-4-yl)amino]cycloheptan-1-ol
CID 113395206
6-chloro-4-N-(2,2-dimethylcyclohexyl)pyrimidine-4,5-diamine
CID 79862142
5-bromo-4-N-(2,2-dimethylcyclohexyl)-2-N-methylpyrimidine-2,4-diamine
CID 80849952
2-N-(2,2-dimethylcyclopentyl)pyrimidine-2,5-diamine
CID 79861067
N-(2,2-dimethylcyclohexyl)-2-fluoroaniline
CID 79828760
4-N-(2,2-dimethylcyclohexyl)pyrimidine-4,6-diamine
CID 80849471
1-[[(2-amino-5-fluoropyrimidin-4-yl)amino]methyl]-4,4-dimethylcyclohexan-1-ol
CID 80843585
N-(2,2-dimethylcyclohexyl)-5-ethyl-6-hydrazinylpyrimidin-4-amine
CID 80929258

Frequently Asked Questions

What is the IUPAC name of 4-N-(2,2-dimethylcyclohexyl)-5-fluoropyrimidine-2,4-diamine?
The IUPAC name of 4-N-(2,2-dimethylcyclohexyl)-5-fluoropyrimidine-2,4-diamine (CID 80849472) is 4-N-(2,2-dimethylcyclohexyl)-5-fluoropyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(2,2-dimethylcyclohexyl)-5-fluoropyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(2,2-dimethylcyclohexyl)-5-fluoropyrimidine-2,4-diamine is CC1(C)CCCCC1Nc1nc(N)ncc1F.
What is the InChIKey of 4-N-(2,2-dimethylcyclohexyl)-5-fluoropyrimidine-2,4-diamine?
The InChIKey is BBCSBRNUTWWLCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN4/c1-12(2)6-4-3-5-9(12)16-10-8(13)7-15-11(14)17-10/h7,9H,3-6H2,1-2H3,(H3,14,15,16,17).
What are the key properties of 4-N-(2,2-dimethylcyclohexyl)-5-fluoropyrimidine-2,4-diamine?
4-N-(2,2-dimethylcyclohexyl)-5-fluoropyrimidine-2,4-diamine has a molecular weight of 238.31 g/mol, XLogP of 2.58, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,2-dimethylcyclohexyl)-5-fluoropyrimidine-2,4-diamine is sourced from PubChem (CID 80849472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).