(6R)-6-(3-fluorobutyl)-5-methyl-4-propan-2-yl-1,4,5,6-tetrahydropyrimidine

C12H23FN2 — CID 155204845

IUPAC(6R)-6-(3-fluorobutyl)-5-methyl-4-propan-2-yl-1,4,5,6-tetrahydropyrimidine
SMILESCC(F)CC[C@H]1NC=NC(C(C)C)C1C
InChIInChI=1S/C12H23FN2/c1-8(2)12-10(4)11(14-7-15-12)6-5-9(3)13/h7-12H,5-6H2,1-4H3,(H,14,15)/t9?,10?,11-,12?/m1/s1
InChIKeyIOXLOKHDJMESPR-QDLLBCNESA-N
MW214.33 g/mol
LogP2.79
Rot. Bonds4

About (6R)-6-(3-fluorobutyl)-5-methyl-4-propan-2-yl-1,4,5,6-tetrahydropyrimidine

(6R)-6-(3-fluorobutyl)-5-methyl-4-propan-2-yl-1,4,5,6-tetrahydropyrimidine (PubChem CID 155204845) has the molecular formula C12H23FN2 and a molecular weight of 214.33 g/mol. Its IUPAC name is (6R)-6-(3-fluorobutyl)-5-methyl-4-propan-2-yl-1,4,5,6-tetrahydropyrimidine.

Molecular Properties

Compound Name(6R)-6-(3-fluorobutyl)-5-methyl-4-propan-2-yl-1,4,5,6-tetrahydropyrimidine
PubChem CID155204845
Molecular FormulaC12H23FN2
Molecular Weight214.33 g/mol
Exact Mass214.18
IUPAC Name(6R)-6-(3-fluorobutyl)-5-methyl-4-propan-2-yl-1,4,5,6-tetrahydropyrimidine
SMILESCC(F)CC[C@H]1NC=NC(C(C)C)C1C
InChIInChI=1S/C12H23FN2/c1-8(2)12-10(4)11(14-7-15-12)6-5-9(3)13/h7-12H,5-6H2,1-4H3,(H,14,15)/t9?,10?,11-,12?/m1/s1
InChIKeyIOXLOKHDJMESPR-QDLLBCNESA-N
XLogP2.79
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.33
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (6R)-6-(3-fluorobutyl)-5-methyl-4-propan-2-yl-1,4,5,6-tetrahydropyrimidine?
The IUPAC name of (6R)-6-(3-fluorobutyl)-5-methyl-4-propan-2-yl-1,4,5,6-tetrahydropyrimidine (CID 155204845) is (6R)-6-(3-fluorobutyl)-5-methyl-4-propan-2-yl-1,4,5,6-tetrahydropyrimidine.
What is the SMILES notation for (6R)-6-(3-fluorobutyl)-5-methyl-4-propan-2-yl-1,4,5,6-tetrahydropyrimidine?
The canonical SMILES for (6R)-6-(3-fluorobutyl)-5-methyl-4-propan-2-yl-1,4,5,6-tetrahydropyrimidine is CC(F)CC[C@H]1NC=NC(C(C)C)C1C.
What is the InChIKey of (6R)-6-(3-fluorobutyl)-5-methyl-4-propan-2-yl-1,4,5,6-tetrahydropyrimidine?
The InChIKey is IOXLOKHDJMESPR-QDLLBCNESA-N. The full InChI is InChI=1S/C12H23FN2/c1-8(2)12-10(4)11(14-7-15-12)6-5-9(3)13/h7-12H,5-6H2,1-4H3,(H,14,15)/t9?,10?,11-,12?/m1/s1.
What are the key properties of (6R)-6-(3-fluorobutyl)-5-methyl-4-propan-2-yl-1,4,5,6-tetrahydropyrimidine?
(6R)-6-(3-fluorobutyl)-5-methyl-4-propan-2-yl-1,4,5,6-tetrahydropyrimidine has a molecular weight of 214.33 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-(3-fluorobutyl)-5-methyl-4-propan-2-yl-1,4,5,6-tetrahydropyrimidine is sourced from PubChem (CID 155204845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).