N-[(1R,2S)-2-phenylcyclopropyl]-1,4,5,6-tetrahydropyrimidin-2-amine

C13H17N3 — CID 120665878

IUPACN-[(1R,2S)-2-phenylcyclopropyl]-1,4,5,6-tetrahydropyrimidin-2-amine
SMILESc1ccc([C@@H]2C[C@H]2NC2=NCCCN2)cc1
InChIInChI=1S/C13H17N3/c1-2-5-10(6-3-1)11-9-12(11)16-13-14-7-4-8-15-13/h1-3,5-6,11-12H,4,7-9H2,(H2,14,15,16)/t11-,12+/m0/s1
InChIKeyYWSWGGJYNGRFEU-NWDGAFQWSA-N
MW215.30 g/mol
LogP1.48
Rot. Bonds2

About N-[(1R,2S)-2-phenylcyclopropyl]-1,4,5,6-tetrahydropyrimidin-2-amine

N-[(1R,2S)-2-phenylcyclopropyl]-1,4,5,6-tetrahydropyrimidin-2-amine (PubChem CID 120665878) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is N-[(1R,2S)-2-phenylcyclopropyl]-1,4,5,6-tetrahydropyrimidin-2-amine.

Molecular Properties

Compound NameN-[(1R,2S)-2-phenylcyclopropyl]-1,4,5,6-tetrahydropyrimidin-2-amine
PubChem CID120665878
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC NameN-[(1R,2S)-2-phenylcyclopropyl]-1,4,5,6-tetrahydropyrimidin-2-amine
SMILESc1ccc([C@@H]2C[C@H]2NC2=NCCCN2)cc1
InChIInChI=1S/C13H17N3/c1-2-5-10(6-3-1)11-9-12(11)16-13-14-7-4-8-15-13/h1-3,5-6,11-12H,4,7-9H2,(H2,14,15,16)/t11-,12+/m0/s1
InChIKeyYWSWGGJYNGRFEU-NWDGAFQWSA-N
XLogP1.48
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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-[2-(3-fluorophenyl)cyclopropyl]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 110916658
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-[(1R,2S)-2-(4-chloro-3-fluorophenyl)cyclopropyl]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 120671120
N-(2-phenylcyclopropyl)-2,3,4,5-tetrahydropyridin-6-amine
CID 79508367
N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,4,5,6-tetrahydropyrimidin-2-amine
CID 14063729
N-(2-fluoro-2-phenylcyclopropyl)-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
CID 122125608
N-(2-phenyl-2,3-dihydro-1H-inden-1-yl)-4,5-dihydro-1H-imidazol-2-amine
CID 24936510
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-[(1R,2S)-2-phenylcyclopropyl]-1,4,5,6-tetrahydropyrimidin-2-amine?
The IUPAC name of N-[(1R,2S)-2-phenylcyclopropyl]-1,4,5,6-tetrahydropyrimidin-2-amine (CID 120665878) is N-[(1R,2S)-2-phenylcyclopropyl]-1,4,5,6-tetrahydropyrimidin-2-amine.
What is the SMILES notation for N-[(1R,2S)-2-phenylcyclopropyl]-1,4,5,6-tetrahydropyrimidin-2-amine?
The canonical SMILES for N-[(1R,2S)-2-phenylcyclopropyl]-1,4,5,6-tetrahydropyrimidin-2-amine is c1ccc([C@@H]2C[C@H]2NC2=NCCCN2)cc1.
What is the InChIKey of N-[(1R,2S)-2-phenylcyclopropyl]-1,4,5,6-tetrahydropyrimidin-2-amine?
The InChIKey is YWSWGGJYNGRFEU-NWDGAFQWSA-N. The full InChI is InChI=1S/C13H17N3/c1-2-5-10(6-3-1)11-9-12(11)16-13-14-7-4-8-15-13/h1-3,5-6,11-12H,4,7-9H2,(H2,14,15,16)/t11-,12+/m0/s1.
What are the key properties of N-[(1R,2S)-2-phenylcyclopropyl]-1,4,5,6-tetrahydropyrimidin-2-amine?
N-[(1R,2S)-2-phenylcyclopropyl]-1,4,5,6-tetrahydropyrimidin-2-amine has a molecular weight of 215.30 g/mol, XLogP of 1.48, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S)-2-phenylcyclopropyl]-1,4,5,6-tetrahydropyrimidin-2-amine is sourced from PubChem (CID 120665878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).