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

C13H23N3 — CID 99846918

IUPACN-[(1S,2R)-2-cyclohexylcyclopropyl]-1,4,5,6-tetrahydropyrimidin-2-amine
SMILESC1CCC([C@H]2C[C@@H]2NC2=NCCCN2)CC1
InChIInChI=1S/C13H23N3/c1-2-5-10(6-3-1)11-9-12(11)16-13-14-7-4-8-15-13/h10-12H,1-9H2,(H2,14,15,16)/t11-,12+/m1/s1
InChIKeyXVIACNPTRXUMFI-NEPJUHHUSA-N
MW221.35 g/mol
LogP1.89
Rot. Bonds2

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

N-[(1S,2R)-2-cyclohexylcyclopropyl]-1,4,5,6-tetrahydropyrimidin-2-amine (PubChem CID 99846918) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is N-[(1S,2R)-2-cyclohexylcyclopropyl]-1,4,5,6-tetrahydropyrimidin-2-amine.

Molecular Properties

Compound NameN-[(1S,2R)-2-cyclohexylcyclopropyl]-1,4,5,6-tetrahydropyrimidin-2-amine
PubChem CID99846918
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC NameN-[(1S,2R)-2-cyclohexylcyclopropyl]-1,4,5,6-tetrahydropyrimidin-2-amine
SMILESC1CCC([C@H]2C[C@@H]2NC2=NCCCN2)CC1
InChIInChI=1S/C13H23N3/c1-2-5-10(6-3-1)11-9-12(11)16-13-14-7-4-8-15-13/h10-12H,1-9H2,(H2,14,15,16)/t11-,12+/m1/s1
InChIKeyXVIACNPTRXUMFI-NEPJUHHUSA-N
XLogP1.89
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1S,2R)-2-cyclohexylcyclopropyl]-1,4,5,6-tetrahydropyrimidin-2-amine?
The IUPAC name of N-[(1S,2R)-2-cyclohexylcyclopropyl]-1,4,5,6-tetrahydropyrimidin-2-amine (CID 99846918) is N-[(1S,2R)-2-cyclohexylcyclopropyl]-1,4,5,6-tetrahydropyrimidin-2-amine.
What is the SMILES notation for N-[(1S,2R)-2-cyclohexylcyclopropyl]-1,4,5,6-tetrahydropyrimidin-2-amine?
The canonical SMILES for N-[(1S,2R)-2-cyclohexylcyclopropyl]-1,4,5,6-tetrahydropyrimidin-2-amine is C1CCC([C@H]2C[C@@H]2NC2=NCCCN2)CC1.
What is the InChIKey of N-[(1S,2R)-2-cyclohexylcyclopropyl]-1,4,5,6-tetrahydropyrimidin-2-amine?
The InChIKey is XVIACNPTRXUMFI-NEPJUHHUSA-N. The full InChI is InChI=1S/C13H23N3/c1-2-5-10(6-3-1)11-9-12(11)16-13-14-7-4-8-15-13/h10-12H,1-9H2,(H2,14,15,16)/t11-,12+/m1/s1.
What are the key properties of N-[(1S,2R)-2-cyclohexylcyclopropyl]-1,4,5,6-tetrahydropyrimidin-2-amine?
N-[(1S,2R)-2-cyclohexylcyclopropyl]-1,4,5,6-tetrahydropyrimidin-2-amine has a molecular weight of 221.35 g/mol, XLogP of 1.89, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2R)-2-cyclohexylcyclopropyl]-1,4,5,6-tetrahydropyrimidin-2-amine is sourced from PubChem (CID 99846918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).