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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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).