2-tert-butyl-6-chloro-N-[(2-fluorophenyl)methyl]-5-methylpyrimidin-4-amine

C16H19ClFN3 — CID 80979589

IUPAC2-tert-butyl-6-chloro-N-[(2-fluorophenyl)methyl]-5-methylpyrimidin-4-amine
SMILESCc1c(Cl)nc(C(C)(C)C)nc1NCc1ccccc1F
InChIInChI=1S/C16H19ClFN3/c1-10-13(17)20-15(16(2,3)4)21-14(10)19-9-11-7-5-6-8-12(11)18/h5-8H,9H2,1-4H3,(H,19,20,21)
InChIKeyUHLMESITKZPANK-UHFFFAOYSA-N
MW307.80 g/mol
LogP4.49
Rot. Bonds3

About 2-tert-butyl-6-chloro-N-[(2-fluorophenyl)methyl]-5-methylpyrimidin-4-amine

2-tert-butyl-6-chloro-N-[(2-fluorophenyl)methyl]-5-methylpyrimidin-4-amine (PubChem CID 80979589) has the molecular formula C16H19ClFN3 and a molecular weight of 307.80 g/mol. Its IUPAC name is 2-tert-butyl-6-chloro-N-[(2-fluorophenyl)methyl]-5-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-tert-butyl-6-chloro-N-[(2-fluorophenyl)methyl]-5-methylpyrimidin-4-amine
PubChem CID80979589
Molecular FormulaC16H19ClFN3
Molecular Weight307.80 g/mol
Exact Mass307.13
IUPAC Name2-tert-butyl-6-chloro-N-[(2-fluorophenyl)methyl]-5-methylpyrimidin-4-amine
SMILESCc1c(Cl)nc(C(C)(C)C)nc1NCc1ccccc1F
InChIInChI=1S/C16H19ClFN3/c1-10-13(17)20-15(16(2,3)4)21-14(10)19-9-11-7-5-6-8-12(11)18/h5-8H,9H2,1-4H3,(H,19,20,21)
InChIKeyUHLMESITKZPANK-UHFFFAOYSA-N
XLogP4.49
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.80
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-N-[(2-fluorophenyl)methyl]-4,5-dimethylpyridazin-3-amine
CID 63271586
2-tert-butyl-6-chloro-5-methyl-N-[(5-methylthiophen-2-yl)methyl]pyrimidin-4-amine
CID 80972406
6-chloro-N-[(2-chlorophenyl)methyl]-2,5-dimethylpyrimidin-4-amine
CID 63727891
2-tert-butyl-4-N-[(2-fluorophenyl)methyl]-6-N-methylpyrimidine-4,6-diamine
CID 80955396
2-tert-butyl-6-chloro-N-(3,4-difluorophenyl)-5-methylpyrimidin-4-amine
CID 80973758
3-tert-butyl-N-[(2-fluorophenyl)methyl]-1,2,4-thiadiazol-5-amine
CID 65270918
2-tert-butyl-6-chloro-5-methyl-N-(1H-pyrazol-4-ylmethyl)pyrimidin-4-amine
CID 114156509
2-tert-butyl-6-chloro-N-(2,2-dimethylbutyl)-5-methylpyrimidin-4-amine
CID 103463623
4-N-[(2-fluorophenyl)methyl]-6-N,5-dimethyl-2-propylpyrimidine-4,6-diamine
CID 80980852
6-bromo-2-chloro-N-[(2-fluorophenyl)methyl]-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 178114610
2-tert-butyl-6-chloro-N-(3-ethylpentan-3-yl)-5-methylpyrimidin-4-amine
CID 80978304
6-chloro-4-N-ethyl-2-N-[(2-fluorophenyl)methyl]-1,3,5-triazine-2,4-diamine
CID 80776835

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-chloro-N-[(2-fluorophenyl)methyl]-5-methylpyrimidin-4-amine?
The IUPAC name of 2-tert-butyl-6-chloro-N-[(2-fluorophenyl)methyl]-5-methylpyrimidin-4-amine (CID 80979589) is 2-tert-butyl-6-chloro-N-[(2-fluorophenyl)methyl]-5-methylpyrimidin-4-amine.
What is the SMILES notation for 2-tert-butyl-6-chloro-N-[(2-fluorophenyl)methyl]-5-methylpyrimidin-4-amine?
The canonical SMILES for 2-tert-butyl-6-chloro-N-[(2-fluorophenyl)methyl]-5-methylpyrimidin-4-amine is Cc1c(Cl)nc(C(C)(C)C)nc1NCc1ccccc1F.
What is the InChIKey of 2-tert-butyl-6-chloro-N-[(2-fluorophenyl)methyl]-5-methylpyrimidin-4-amine?
The InChIKey is UHLMESITKZPANK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClFN3/c1-10-13(17)20-15(16(2,3)4)21-14(10)19-9-11-7-5-6-8-12(11)18/h5-8H,9H2,1-4H3,(H,19,20,21).
What are the key properties of 2-tert-butyl-6-chloro-N-[(2-fluorophenyl)methyl]-5-methylpyrimidin-4-amine?
2-tert-butyl-6-chloro-N-[(2-fluorophenyl)methyl]-5-methylpyrimidin-4-amine has a molecular weight of 307.80 g/mol, XLogP of 4.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-chloro-N-[(2-fluorophenyl)methyl]-5-methylpyrimidin-4-amine is sourced from PubChem (CID 80979589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).