N-(2-chloroprop-2-enyl)-5-fluoro-2,6-dimethylpyrimidin-4-amine

C9H11ClFN3 — CID 131181575

IUPACN-(2-chloroprop-2-enyl)-5-fluoro-2,6-dimethylpyrimidin-4-amine
SMILESC=C(Cl)CNc1nc(C)nc(C)c1F
InChIInChI=1S/C9H11ClFN3/c1-5(10)4-12-9-8(11)6(2)13-7(3)14-9/h1,4H2,2-3H3,(H,12,13,14)
InChIKeyPQLWWMSPOPIQNT-UHFFFAOYSA-N
MW215.66 g/mol
LogP2.40
Rot. Bonds3

About N-(2-chloroprop-2-enyl)-5-fluoro-2,6-dimethylpyrimidin-4-amine

N-(2-chloroprop-2-enyl)-5-fluoro-2,6-dimethylpyrimidin-4-amine (PubChem CID 131181575) has the molecular formula C9H11ClFN3 and a molecular weight of 215.66 g/mol. Its IUPAC name is N-(2-chloroprop-2-enyl)-5-fluoro-2,6-dimethylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-chloroprop-2-enyl)-5-fluoro-2,6-dimethylpyrimidin-4-amine
PubChem CID131181575
Molecular FormulaC9H11ClFN3
Molecular Weight215.66 g/mol
Exact Mass215.06
IUPAC NameN-(2-chloroprop-2-enyl)-5-fluoro-2,6-dimethylpyrimidin-4-amine
SMILESC=C(Cl)CNc1nc(C)nc(C)c1F
InChIInChI=1S/C9H11ClFN3/c1-5(10)4-12-9-8(11)6(2)13-7(3)14-9/h1,4H2,2-3H3,(H,12,13,14)
InChIKeyPQLWWMSPOPIQNT-UHFFFAOYSA-N
XLogP2.40
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.66
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(5-fluoro-2,6-dimethylpyrimidin-4-yl)amino]propan-1-ol
CID 131160291
N-(2-chloroprop-2-enyl)-3,6-dimethylpyrazin-2-amine
CID 104695502
N-(2-chloroprop-2-enyl)-2,6-dimethylpyrimidin-4-amine
CID 115637255
6-bromo-N-(2-chloroprop-2-enyl)-2-methylpyrimidin-4-amine
CID 106195518
2-chloro-N-(2-chloroprop-2-enyl)-6-methyl-5-nitropyrimidin-4-amine
CID 106195519
[(1R,4S)-4-[(5-fluoro-2,6-dimethylpyrimidin-4-yl)amino]cyclopent-2-en-1-yl]methanol
CID 126827123
N-(2-bromoprop-2-enyl)-5-fluoro-6-methylpyrimidin-4-amine
CID 103634964
3-bromo-N-(2-chloroprop-2-enyl)-5-methylpyridin-2-amine
CID 105367125
4,5-difluoro-2,6-dimethylpyrimidine
CID 122695499
2-chloro-N-(2-chloroprop-2-enyl)-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 106195492
N-(2-bromoprop-2-enyl)-3-chloro-5,6-dimethylpyrazin-2-amine
CID 106195568
4-[3-[(5-fluoro-2,6-dimethylpyrimidin-4-yl)amino]propyl]piperazin-2-one
CID 131962048

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroprop-2-enyl)-5-fluoro-2,6-dimethylpyrimidin-4-amine?
The IUPAC name of N-(2-chloroprop-2-enyl)-5-fluoro-2,6-dimethylpyrimidin-4-amine (CID 131181575) is N-(2-chloroprop-2-enyl)-5-fluoro-2,6-dimethylpyrimidin-4-amine.
What is the SMILES notation for N-(2-chloroprop-2-enyl)-5-fluoro-2,6-dimethylpyrimidin-4-amine?
The canonical SMILES for N-(2-chloroprop-2-enyl)-5-fluoro-2,6-dimethylpyrimidin-4-amine is C=C(Cl)CNc1nc(C)nc(C)c1F.
What is the InChIKey of N-(2-chloroprop-2-enyl)-5-fluoro-2,6-dimethylpyrimidin-4-amine?
The InChIKey is PQLWWMSPOPIQNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClFN3/c1-5(10)4-12-9-8(11)6(2)13-7(3)14-9/h1,4H2,2-3H3,(H,12,13,14).
What are the key properties of N-(2-chloroprop-2-enyl)-5-fluoro-2,6-dimethylpyrimidin-4-amine?
N-(2-chloroprop-2-enyl)-5-fluoro-2,6-dimethylpyrimidin-4-amine has a molecular weight of 215.66 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroprop-2-enyl)-5-fluoro-2,6-dimethylpyrimidin-4-amine is sourced from PubChem (CID 131181575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).