6-chloro-N-[1-(4-fluorophenyl)ethyl]-5-methyl-2-propan-2-ylpyrimidin-4-amine

C16H19ClFN3 — CID 80979435

IUPAC6-chloro-N-[1-(4-fluorophenyl)ethyl]-5-methyl-2-propan-2-ylpyrimidin-4-amine
SMILESCc1c(Cl)nc(C(C)C)nc1NC(C)c1ccc(F)cc1
InChIInChI=1S/C16H19ClFN3/c1-9(2)15-20-14(17)10(3)16(21-15)19-11(4)12-5-7-13(18)8-6-12/h5-9,11H,1-4H3,(H,19,20,21)
InChIKeyOMNSOHLSJLTRSV-UHFFFAOYSA-N
MW307.80 g/mol
LogP4.87
Rot. Bonds4

About 6-chloro-N-[1-(4-fluorophenyl)ethyl]-5-methyl-2-propan-2-ylpyrimidin-4-amine

6-chloro-N-[1-(4-fluorophenyl)ethyl]-5-methyl-2-propan-2-ylpyrimidin-4-amine (PubChem CID 80979435) has the molecular formula C16H19ClFN3 and a molecular weight of 307.80 g/mol. Its IUPAC name is 6-chloro-N-[1-(4-fluorophenyl)ethyl]-5-methyl-2-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-[1-(4-fluorophenyl)ethyl]-5-methyl-2-propan-2-ylpyrimidin-4-amine
PubChem CID80979435
Molecular FormulaC16H19ClFN3
Molecular Weight307.80 g/mol
Exact Mass307.13
IUPAC Name6-chloro-N-[1-(4-fluorophenyl)ethyl]-5-methyl-2-propan-2-ylpyrimidin-4-amine
SMILESCc1c(Cl)nc(C(C)C)nc1NC(C)c1ccc(F)cc1
InChIInChI=1S/C16H19ClFN3/c1-9(2)15-20-14(17)10(3)16(21-15)19-11(4)12-5-7-13(18)8-6-12/h5-9,11H,1-4H3,(H,19,20,21)
InChIKeyOMNSOHLSJLTRSV-UHFFFAOYSA-N
XLogP4.87
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.80
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-N-[1-(4-chlorophenyl)ethyl]-2,5-dimethylpyrimidin-4-amine
CID 63729135
6-chloro-5-methyl-N-(3-methylbutan-2-yl)-2-propan-2-ylpyrimidin-4-amine
CID 80973311
4-chloro-N-[1-(4-fluorophenyl)ethyl]-1,2,5-thiadiazol-3-amine
CID 60726154
6-chloro-N-(2,6-dichloro-4-fluorophenyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 83079114
6-chloro-5-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-2-propan-2-ylpyrimidin-4-amine
CID 106389477
6-chloro-N-[1-(4-ethylphenyl)ethyl]-2,5-dimethylpyrimidin-4-amine
CID 106193534
5-methyl-2-propan-2-yl-4-N-(1-pyridin-4-ylethyl)pyrimidine-4,6-diamine
CID 80994228
3,5-dichloro-N-[1-(4-fluorophenyl)ethyl]-6-hydrazinylpyridin-2-amine
CID 102761792
6-chloro-N-(3-chloro-4-fluorophenyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80972758
6-chloro-5-methyl-N-[1-(4-methylphenyl)ethyl]-2-propylpyrimidin-4-amine
CID 80978917
2-[(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]propanamide
CID 80969834
N-[1-(4-fluorophenyl)ethyl]-4,6-dimethylpyrimidin-2-amine
CID 60726849

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[1-(4-fluorophenyl)ethyl]-5-methyl-2-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 6-chloro-N-[1-(4-fluorophenyl)ethyl]-5-methyl-2-propan-2-ylpyrimidin-4-amine (CID 80979435) is 6-chloro-N-[1-(4-fluorophenyl)ethyl]-5-methyl-2-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-[1-(4-fluorophenyl)ethyl]-5-methyl-2-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-[1-(4-fluorophenyl)ethyl]-5-methyl-2-propan-2-ylpyrimidin-4-amine is Cc1c(Cl)nc(C(C)C)nc1NC(C)c1ccc(F)cc1.
What is the InChIKey of 6-chloro-N-[1-(4-fluorophenyl)ethyl]-5-methyl-2-propan-2-ylpyrimidin-4-amine?
The InChIKey is OMNSOHLSJLTRSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClFN3/c1-9(2)15-20-14(17)10(3)16(21-15)19-11(4)12-5-7-13(18)8-6-12/h5-9,11H,1-4H3,(H,19,20,21).
What are the key properties of 6-chloro-N-[1-(4-fluorophenyl)ethyl]-5-methyl-2-propan-2-ylpyrimidin-4-amine?
6-chloro-N-[1-(4-fluorophenyl)ethyl]-5-methyl-2-propan-2-ylpyrimidin-4-amine has a molecular weight of 307.80 g/mol, XLogP of 4.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[1-(4-fluorophenyl)ethyl]-5-methyl-2-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 80979435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).