6-(2-fluorophenyl)-5-methyl-1,4,5,6-tetrahydropyrimidin-2-amine;hydrochloride

C11H15ClFN3 — CID 103318033

IUPAC6-(2-fluorophenyl)-5-methyl-1,4,5,6-tetrahydropyrimidin-2-amine;hydrochloride
SMILESCC1CN=C(N)NC1c1ccccc1F.Cl
InChIInChI=1S/C11H14FN3.ClH/c1-7-6-14-11(13)15-10(7)8-4-2-3-5-9(8)12;/h2-5,7,10H,6H2,1H3,(H3,13,14,15);1H
InChIKeyZBIGSYHVKMMXKW-UHFFFAOYSA-N
MW243.71 g/mol
LogP1.84
Rot. Bonds1

About 6-(2-fluorophenyl)-5-methyl-1,4,5,6-tetrahydropyrimidin-2-amine;hydrochloride

6-(2-fluorophenyl)-5-methyl-1,4,5,6-tetrahydropyrimidin-2-amine;hydrochloride (PubChem CID 103318033) has the molecular formula C11H15ClFN3 and a molecular weight of 243.71 g/mol. Its IUPAC name is 6-(2-fluorophenyl)-5-methyl-1,4,5,6-tetrahydropyrimidin-2-amine;hydrochloride.

Molecular Properties

Compound Name6-(2-fluorophenyl)-5-methyl-1,4,5,6-tetrahydropyrimidin-2-amine;hydrochloride
PubChem CID103318033
Molecular FormulaC11H15ClFN3
Molecular Weight243.71 g/mol
Exact Mass243.09
IUPAC Name6-(2-fluorophenyl)-5-methyl-1,4,5,6-tetrahydropyrimidin-2-amine;hydrochloride
SMILESCC1CN=C(N)NC1c1ccccc1F.Cl
InChIInChI=1S/C11H14FN3.ClH/c1-7-6-14-11(13)15-10(7)8-4-2-3-5-9(8)12;/h2-5,7,10H,6H2,1H3,(H3,13,14,15);1H
InChIKeyZBIGSYHVKMMXKW-UHFFFAOYSA-N
XLogP1.84
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.71
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-5-(2-fluorophenyl)-1,5-dihydroimidazol-2-one
CID 79961733
4-(2-fluorophenyl)-6-methyl-5,6-dihydro-4H-1,3-oxazin-2-amine
CID 144673057
4-(2-fluorophenyl)-N,N-dimethyl-1,4-dihydroisoquinolin-3-amine;hydrochloride
CID 70437653
1-(2-fluorophenyl)-5-methyl-4,5-dihydroimidazol-2-amine
CID 79521205
N-[(1R,2S)-2-(2-fluorophenyl)cyclopropyl]-5-methyl-4,5-dihydro-1H-imidazol-2-amine
CID 122098700
2-(2-fluorophenyl)-4-methylazetidine
CID 116822055
5-(2-ethoxyphenyl)-4,5-dihydro-1H-imidazol-2-amine
CID 79510801
5-[2-(methoxymethyl)phenyl]-4,5-dihydro-1H-imidazol-2-amine
CID 79509782
2-(2,3-difluorophenyl)-3-methyl-1,2,3,4-tetrahydroquinoline
CID 115502761
3-(2-fluorophenyl)-2-methyl-1,4-thiazepane
CID 112680172
4-(2-fluorophenyl)piperidine;molecular hydrogen
CID 156796206
2-(2-fluorophenyl)cyclopentan-1-amine
CID 62605662

Frequently Asked Questions

What is the IUPAC name of 6-(2-fluorophenyl)-5-methyl-1,4,5,6-tetrahydropyrimidin-2-amine;hydrochloride?
The IUPAC name of 6-(2-fluorophenyl)-5-methyl-1,4,5,6-tetrahydropyrimidin-2-amine;hydrochloride (CID 103318033) is 6-(2-fluorophenyl)-5-methyl-1,4,5,6-tetrahydropyrimidin-2-amine;hydrochloride.
What is the SMILES notation for 6-(2-fluorophenyl)-5-methyl-1,4,5,6-tetrahydropyrimidin-2-amine;hydrochloride?
The canonical SMILES for 6-(2-fluorophenyl)-5-methyl-1,4,5,6-tetrahydropyrimidin-2-amine;hydrochloride is CC1CN=C(N)NC1c1ccccc1F.Cl.
What is the InChIKey of 6-(2-fluorophenyl)-5-methyl-1,4,5,6-tetrahydropyrimidin-2-amine;hydrochloride?
The InChIKey is ZBIGSYHVKMMXKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN3.ClH/c1-7-6-14-11(13)15-10(7)8-4-2-3-5-9(8)12;/h2-5,7,10H,6H2,1H3,(H3,13,14,15);1H.
What are the key properties of 6-(2-fluorophenyl)-5-methyl-1,4,5,6-tetrahydropyrimidin-2-amine;hydrochloride?
6-(2-fluorophenyl)-5-methyl-1,4,5,6-tetrahydropyrimidin-2-amine;hydrochloride has a molecular weight of 243.71 g/mol, XLogP of 1.84, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-fluorophenyl)-5-methyl-1,4,5,6-tetrahydropyrimidin-2-amine;hydrochloride is sourced from PubChem (CID 103318033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).