5-fluoro-2-N-methyl-4-N-(4-propylcyclohexyl)pyrimidine-2,4-diamine

C14H23FN4 — CID 80808231

IUPAC5-fluoro-2-N-methyl-4-N-(4-propylcyclohexyl)pyrimidine-2,4-diamine
SMILESCCCC1CCC(Nc2nc(NC)ncc2F)CC1
InChIInChI=1S/C14H23FN4/c1-3-4-10-5-7-11(8-6-10)18-13-12(15)9-17-14(16-2)19-13/h9-11H,3-8H2,1-2H3,(H2,16,17,18,19)
InChIKeyJUWSOMPRZSIAFV-UHFFFAOYSA-N
MW266.36 g/mol
LogP3.43
Rot. Bonds5

About 5-fluoro-2-N-methyl-4-N-(4-propylcyclohexyl)pyrimidine-2,4-diamine

5-fluoro-2-N-methyl-4-N-(4-propylcyclohexyl)pyrimidine-2,4-diamine (PubChem CID 80808231) has the molecular formula C14H23FN4 and a molecular weight of 266.36 g/mol. Its IUPAC name is 5-fluoro-2-N-methyl-4-N-(4-propylcyclohexyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-fluoro-2-N-methyl-4-N-(4-propylcyclohexyl)pyrimidine-2,4-diamine
PubChem CID80808231
Molecular FormulaC14H23FN4
Molecular Weight266.36 g/mol
Exact Mass266.19
IUPAC Name5-fluoro-2-N-methyl-4-N-(4-propylcyclohexyl)pyrimidine-2,4-diamine
SMILESCCCC1CCC(Nc2nc(NC)ncc2F)CC1
InChIInChI=1S/C14H23FN4/c1-3-4-10-5-7-11(8-6-10)18-13-12(15)9-17-14(16-2)19-13/h9-11H,3-8H2,1-2H3,(H2,16,17,18,19)
InChIKeyJUWSOMPRZSIAFV-UHFFFAOYSA-N
XLogP3.43
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(2-cyclopropylethyl)-5-fluoro-2-N-methylpyrimidine-2,4-diamine
CID 80847388
5-fluoro-2-N-methyl-4-N-[2-(4-methylcyclohexyl)ethyl]pyrimidine-2,4-diamine
CID 80835356
3-fluoro-N-(4-propylcyclohexyl)pyridin-2-amine
CID 62733989
4-N-(2-cyclopropylethyl)-5-fluoro-2-N-propylpyrimidine-2,4-diamine
CID 80847389
4-N-(4,4-dimethylcyclohexyl)-5-fluoro-2-N-propylpyrimidine-2,4-diamine
CID 80837855
N-cyclopropyl-5-fluoro-2-hydrazinylpyrimidin-4-amine
CID 80931605
4-N-(2,3-dihydro-1H-inden-2-yl)-5-fluoro-2-N-methylpyrimidine-2,4-diamine
CID 107855407
5-bromo-N-(4-propylcyclohexyl)pyrimidin-2-amine
CID 63874176
5-fluoro-2-N-methyl-4-N-octylpyrimidine-2,4-diamine
CID 113336792
2-N-(4-propylcyclohexyl)pyrimidine-2,5-diamine
CID 54962936
4-ethyl-1-[[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol
CID 80843418
1-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]-2-methylpropan-2-ol
CID 80841199

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-N-methyl-4-N-(4-propylcyclohexyl)pyrimidine-2,4-diamine?
The IUPAC name of 5-fluoro-2-N-methyl-4-N-(4-propylcyclohexyl)pyrimidine-2,4-diamine (CID 80808231) is 5-fluoro-2-N-methyl-4-N-(4-propylcyclohexyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 5-fluoro-2-N-methyl-4-N-(4-propylcyclohexyl)pyrimidine-2,4-diamine?
The canonical SMILES for 5-fluoro-2-N-methyl-4-N-(4-propylcyclohexyl)pyrimidine-2,4-diamine is CCCC1CCC(Nc2nc(NC)ncc2F)CC1.
What is the InChIKey of 5-fluoro-2-N-methyl-4-N-(4-propylcyclohexyl)pyrimidine-2,4-diamine?
The InChIKey is JUWSOMPRZSIAFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23FN4/c1-3-4-10-5-7-11(8-6-10)18-13-12(15)9-17-14(16-2)19-13/h9-11H,3-8H2,1-2H3,(H2,16,17,18,19).
What are the key properties of 5-fluoro-2-N-methyl-4-N-(4-propylcyclohexyl)pyrimidine-2,4-diamine?
5-fluoro-2-N-methyl-4-N-(4-propylcyclohexyl)pyrimidine-2,4-diamine has a molecular weight of 266.36 g/mol, XLogP of 3.43, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-N-methyl-4-N-(4-propylcyclohexyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 80808231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).