4-(3-cyclopropylcyclohex-2-en-1-yl)-5-fluoro-1,2,3,4-tetrahydropyrimidin-2-amine

C13H20FN3 — CID 172592436

IUPAC4-(3-cyclopropylcyclohex-2-en-1-yl)-5-fluoro-1,2,3,4-tetrahydropyrimidin-2-amine
SMILESNC1NC=C(F)C(C2C=C(C3CC3)CCC2)N1
InChIInChI=1S/C13H20FN3/c14-11-7-16-13(15)17-12(11)10-3-1-2-9(6-10)8-4-5-8/h6-8,10,12-13,16-17H,1-5,15H2
InChIKeyBLYSOWIUOZBRAL-UHFFFAOYSA-N
MW237.32 g/mol
LogP1.74
Rot. Bonds2

About 4-(3-cyclopropylcyclohex-2-en-1-yl)-5-fluoro-1,2,3,4-tetrahydropyrimidin-2-amine

4-(3-cyclopropylcyclohex-2-en-1-yl)-5-fluoro-1,2,3,4-tetrahydropyrimidin-2-amine (PubChem CID 172592436) has the molecular formula C13H20FN3 and a molecular weight of 237.32 g/mol. Its IUPAC name is 4-(3-cyclopropylcyclohex-2-en-1-yl)-5-fluoro-1,2,3,4-tetrahydropyrimidin-2-amine.

Molecular Properties

Compound Name4-(3-cyclopropylcyclohex-2-en-1-yl)-5-fluoro-1,2,3,4-tetrahydropyrimidin-2-amine
PubChem CID172592436
Molecular FormulaC13H20FN3
Molecular Weight237.32 g/mol
Exact Mass237.16
IUPAC Name4-(3-cyclopropylcyclohex-2-en-1-yl)-5-fluoro-1,2,3,4-tetrahydropyrimidin-2-amine
SMILESNC1NC=C(F)C(C2C=C(C3CC3)CCC2)N1
InChIInChI=1S/C13H20FN3/c14-11-7-16-13(15)17-12(11)10-3-1-2-9(6-10)8-4-5-8/h6-8,10,12-13,16-17H,1-5,15H2
InChIKeyBLYSOWIUOZBRAL-UHFFFAOYSA-N
XLogP1.74
TPSA50.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(3-cyclopropylcyclohex-2-en-1-yl)-5-fluoro-1,2,3,4-tetrahydropyrimidin-2-amine?
The IUPAC name of 4-(3-cyclopropylcyclohex-2-en-1-yl)-5-fluoro-1,2,3,4-tetrahydropyrimidin-2-amine (CID 172592436) is 4-(3-cyclopropylcyclohex-2-en-1-yl)-5-fluoro-1,2,3,4-tetrahydropyrimidin-2-amine.
What is the SMILES notation for 4-(3-cyclopropylcyclohex-2-en-1-yl)-5-fluoro-1,2,3,4-tetrahydropyrimidin-2-amine?
The canonical SMILES for 4-(3-cyclopropylcyclohex-2-en-1-yl)-5-fluoro-1,2,3,4-tetrahydropyrimidin-2-amine is NC1NC=C(F)C(C2C=C(C3CC3)CCC2)N1.
What is the InChIKey of 4-(3-cyclopropylcyclohex-2-en-1-yl)-5-fluoro-1,2,3,4-tetrahydropyrimidin-2-amine?
The InChIKey is BLYSOWIUOZBRAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FN3/c14-11-7-16-13(15)17-12(11)10-3-1-2-9(6-10)8-4-5-8/h6-8,10,12-13,16-17H,1-5,15H2.
What are the key properties of 4-(3-cyclopropylcyclohex-2-en-1-yl)-5-fluoro-1,2,3,4-tetrahydropyrimidin-2-amine?
4-(3-cyclopropylcyclohex-2-en-1-yl)-5-fluoro-1,2,3,4-tetrahydropyrimidin-2-amine has a molecular weight of 237.32 g/mol, XLogP of 1.74, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-cyclopropylcyclohex-2-en-1-yl)-5-fluoro-1,2,3,4-tetrahydropyrimidin-2-amine is sourced from PubChem (CID 172592436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).