2-chloro-5-fluoro-N-(4-phenylbutan-2-yl)pyrimidin-4-amine

C14H15ClFN3 — CID 79081085

IUPAC2-chloro-5-fluoro-N-(4-phenylbutan-2-yl)pyrimidin-4-amine
SMILESCC(CCc1ccccc1)Nc1nc(Cl)ncc1F
InChIInChI=1S/C14H15ClFN3/c1-10(7-8-11-5-3-2-4-6-11)18-13-12(16)9-17-14(15)19-13/h2-6,9-10H,7-8H2,1H3,(H,17,18,19)
InChIKeyDJAGFOGSEQOSPL-UHFFFAOYSA-N
MW279.75 g/mol
LogP3.70
Rot. Bonds5

About 2-chloro-5-fluoro-N-(4-phenylbutan-2-yl)pyrimidin-4-amine

2-chloro-5-fluoro-N-(4-phenylbutan-2-yl)pyrimidin-4-amine (PubChem CID 79081085) has the molecular formula C14H15ClFN3 and a molecular weight of 279.75 g/mol. Its IUPAC name is 2-chloro-5-fluoro-N-(4-phenylbutan-2-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-5-fluoro-N-(4-phenylbutan-2-yl)pyrimidin-4-amine
PubChem CID79081085
Molecular FormulaC14H15ClFN3
Molecular Weight279.75 g/mol
Exact Mass279.09
IUPAC Name2-chloro-5-fluoro-N-(4-phenylbutan-2-yl)pyrimidin-4-amine
SMILESCC(CCc1ccccc1)Nc1nc(Cl)ncc1F
InChIInChI=1S/C14H15ClFN3/c1-10(7-8-11-5-3-2-4-6-11)18-13-12(16)9-17-14(15)19-13/h2-6,9-10H,7-8H2,1H3,(H,17,18,19)
InChIKeyDJAGFOGSEQOSPL-UHFFFAOYSA-N
XLogP3.70
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.75
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-2-N-methyl-4-N-(4-phenylbutan-2-yl)pyrimidine-2,4-diamine
CID 80811720
6-chloro-5-ethyl-N-(4-phenylbutan-2-yl)pyrimidin-4-amine
CID 63729500
N-(4-phenylbutan-2-yl)phthalazin-1-amine
CID 60631726
N-(4-phenylbutan-2-yl)quinoxalin-2-amine
CID 60716412
2-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-N-ethylpropanamide
CID 79081259
3-fluoro-2-(4-phenylbutan-2-ylamino)pyridine-4-carboxylic acid
CID 105382162
3,4-dichloro-N-(4-phenylbutan-2-yl)aniline
CID 43110414
(2S)-2-(2-chloro-5-fluoropyrimidin-4-yl)-1-phenylpropan-2-ol
CID 87138285
N-benzyl-2-chloro-5-propan-2-ylpyrimidin-4-amine
CID 118141132
2,5-difluoro-4-methyl-N-(4-phenylbutan-2-yl)aniline
CID 103585001
4-chloro-2-methyl-N-(4-phenylbutan-2-yl)aniline
CID 43104795
3-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-2-methylpropanoic acid
CID 89350737

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-fluoro-N-(4-phenylbutan-2-yl)pyrimidin-4-amine?
The IUPAC name of 2-chloro-5-fluoro-N-(4-phenylbutan-2-yl)pyrimidin-4-amine (CID 79081085) is 2-chloro-5-fluoro-N-(4-phenylbutan-2-yl)pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-5-fluoro-N-(4-phenylbutan-2-yl)pyrimidin-4-amine?
The canonical SMILES for 2-chloro-5-fluoro-N-(4-phenylbutan-2-yl)pyrimidin-4-amine is CC(CCc1ccccc1)Nc1nc(Cl)ncc1F.
What is the InChIKey of 2-chloro-5-fluoro-N-(4-phenylbutan-2-yl)pyrimidin-4-amine?
The InChIKey is DJAGFOGSEQOSPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClFN3/c1-10(7-8-11-5-3-2-4-6-11)18-13-12(16)9-17-14(15)19-13/h2-6,9-10H,7-8H2,1H3,(H,17,18,19).
What are the key properties of 2-chloro-5-fluoro-N-(4-phenylbutan-2-yl)pyrimidin-4-amine?
2-chloro-5-fluoro-N-(4-phenylbutan-2-yl)pyrimidin-4-amine has a molecular weight of 279.75 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-fluoro-N-(4-phenylbutan-2-yl)pyrimidin-4-amine is sourced from PubChem (CID 79081085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).