N-[2-(3-fluorophenyl)cyclopropyl]-1,4,5,6-tetrahydropyrimidin-2-amine

C13H16FN3 — CID 110916658

IUPACN-[2-(3-fluorophenyl)cyclopropyl]-1,4,5,6-tetrahydropyrimidin-2-amine
SMILESFc1cccc(C2CC2NC2=NCCCN2)c1
InChIInChI=1S/C13H16FN3/c14-10-4-1-3-9(7-10)11-8-12(11)17-13-15-5-2-6-16-13/h1,3-4,7,11-12H,2,5-6,8H2,(H2,15,16,17)
InChIKeyNLMRDWJBCJXOAO-UHFFFAOYSA-N
MW233.29 g/mol
LogP1.62
Rot. Bonds2

About N-[2-(3-fluorophenyl)cyclopropyl]-1,4,5,6-tetrahydropyrimidin-2-amine

N-[2-(3-fluorophenyl)cyclopropyl]-1,4,5,6-tetrahydropyrimidin-2-amine (PubChem CID 110916658) has the molecular formula C13H16FN3 and a molecular weight of 233.29 g/mol. Its IUPAC name is N-[2-(3-fluorophenyl)cyclopropyl]-1,4,5,6-tetrahydropyrimidin-2-amine.

Molecular Properties

Compound NameN-[2-(3-fluorophenyl)cyclopropyl]-1,4,5,6-tetrahydropyrimidin-2-amine
PubChem CID110916658
Molecular FormulaC13H16FN3
Molecular Weight233.29 g/mol
Exact Mass233.13
IUPAC NameN-[2-(3-fluorophenyl)cyclopropyl]-1,4,5,6-tetrahydropyrimidin-2-amine
SMILESFc1cccc(C2CC2NC2=NCCCN2)c1
InChIInChI=1S/C13H16FN3/c14-10-4-1-3-9(7-10)11-8-12(11)17-13-15-5-2-6-16-13/h1,3-4,7,11-12H,2,5-6,8H2,(H2,15,16,17)
InChIKeyNLMRDWJBCJXOAO-UHFFFAOYSA-N
XLogP1.62
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R,2S)-2-phenylcyclopropyl]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 120665878
N-[(1R,2S)-2-(4-chloro-3-fluorophenyl)cyclopropyl]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 120671120
N-[(1R,2S)-2-(4-chlorophenyl)cyclopropyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
CID 120671121
N-[(1R,2S)-2-(4-bromophenyl)cyclopropyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
CID 120671107
N-[(1R,2S)-2-(2-bromophenyl)cyclopropyl]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 120665870
N-[(1R,2S)-2-naphthalen-1-ylcyclopropyl]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 120665872
N-[3-(3-fluorophenyl)prop-2-ynyl]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 120770572
N-[3-(3-fluorophenyl)prop-2-ynyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
CID 120770571
N-[(2-bromo-4-fluorophenyl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 119112951
N-[(2-bromo-4-fluorophenyl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
CID 119112950
N-[(1S,2R)-2-cyclohexylcyclopropyl]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 99846918
N-(2-cyclohexylcyclopropyl)-1,4,5,6-tetrahydropyrimidin-2-amine
CID 86777911

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-fluorophenyl)cyclopropyl]-1,4,5,6-tetrahydropyrimidin-2-amine?
The IUPAC name of N-[2-(3-fluorophenyl)cyclopropyl]-1,4,5,6-tetrahydropyrimidin-2-amine (CID 110916658) is N-[2-(3-fluorophenyl)cyclopropyl]-1,4,5,6-tetrahydropyrimidin-2-amine.
What is the SMILES notation for N-[2-(3-fluorophenyl)cyclopropyl]-1,4,5,6-tetrahydropyrimidin-2-amine?
The canonical SMILES for N-[2-(3-fluorophenyl)cyclopropyl]-1,4,5,6-tetrahydropyrimidin-2-amine is Fc1cccc(C2CC2NC2=NCCCN2)c1.
What is the InChIKey of N-[2-(3-fluorophenyl)cyclopropyl]-1,4,5,6-tetrahydropyrimidin-2-amine?
The InChIKey is NLMRDWJBCJXOAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3/c14-10-4-1-3-9(7-10)11-8-12(11)17-13-15-5-2-6-16-13/h1,3-4,7,11-12H,2,5-6,8H2,(H2,15,16,17).
What are the key properties of N-[2-(3-fluorophenyl)cyclopropyl]-1,4,5,6-tetrahydropyrimidin-2-amine?
N-[2-(3-fluorophenyl)cyclopropyl]-1,4,5,6-tetrahydropyrimidin-2-amine has a molecular weight of 233.29 g/mol, XLogP of 1.62, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-fluorophenyl)cyclopropyl]-1,4,5,6-tetrahydropyrimidin-2-amine is sourced from PubChem (CID 110916658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).