[2-(cyclohexylmethylamino)-4-(2-fluorophenyl)pyrimidin-5-yl]-morpholin-4-ylmethanone

C22H27FN4O2 — CID 59421187

IUPAC[2-(cyclohexylmethylamino)-4-(2-fluorophenyl)pyrimidin-5-yl]-morpholin-4-ylmethanone
SMILESO=C(c1cnc(NCC2CCCCC2)nc1-c1ccccc1F)N1CCOCC1
InChIInChI=1S/C22H27FN4O2/c23-19-9-5-4-8-17(19)20-18(21(28)27-10-12-29-13-11-27)15-25-22(26-20)24-14-16-6-2-1-3-7-16/h4-5,8-9,15-16H,1-3,6-7,10-14H2,(H,24,25,26)
InChIKeyBPYRFINSLJAJOU-UHFFFAOYSA-N
MW398.48 g/mol
LogP3.75
Rot. Bonds5

About [2-(cyclohexylmethylamino)-4-(2-fluorophenyl)pyrimidin-5-yl]-morpholin-4-ylmethanone

[2-(cyclohexylmethylamino)-4-(2-fluorophenyl)pyrimidin-5-yl]-morpholin-4-ylmethanone (PubChem CID 59421187) has the molecular formula C22H27FN4O2 and a molecular weight of 398.48 g/mol. Its IUPAC name is [2-(cyclohexylmethylamino)-4-(2-fluorophenyl)pyrimidin-5-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[2-(cyclohexylmethylamino)-4-(2-fluorophenyl)pyrimidin-5-yl]-morpholin-4-ylmethanone
PubChem CID59421187
Molecular FormulaC22H27FN4O2
Molecular Weight398.48 g/mol
Exact Mass398.21
IUPAC Name[2-(cyclohexylmethylamino)-4-(2-fluorophenyl)pyrimidin-5-yl]-morpholin-4-ylmethanone
SMILESO=C(c1cnc(NCC2CCCCC2)nc1-c1ccccc1F)N1CCOCC1
InChIInChI=1S/C22H27FN4O2/c23-19-9-5-4-8-17(19)20-18(21(28)27-10-12-29-13-11-27)15-25-22(26-20)24-14-16-6-2-1-3-7-16/h4-5,8-9,15-16H,1-3,6-7,10-14H2,(H,24,25,26)
InChIKeyBPYRFINSLJAJOU-UHFFFAOYSA-N
XLogP3.75
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.48
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(cyclohexylmethylamino)-4-(2-fluorophenyl)pyrimidin-5-yl]-morpholin-4-ylmethanone?
The IUPAC name of [2-(cyclohexylmethylamino)-4-(2-fluorophenyl)pyrimidin-5-yl]-morpholin-4-ylmethanone (CID 59421187) is [2-(cyclohexylmethylamino)-4-(2-fluorophenyl)pyrimidin-5-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [2-(cyclohexylmethylamino)-4-(2-fluorophenyl)pyrimidin-5-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [2-(cyclohexylmethylamino)-4-(2-fluorophenyl)pyrimidin-5-yl]-morpholin-4-ylmethanone is O=C(c1cnc(NCC2CCCCC2)nc1-c1ccccc1F)N1CCOCC1.
What is the InChIKey of [2-(cyclohexylmethylamino)-4-(2-fluorophenyl)pyrimidin-5-yl]-morpholin-4-ylmethanone?
The InChIKey is BPYRFINSLJAJOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN4O2/c23-19-9-5-4-8-17(19)20-18(21(28)27-10-12-29-13-11-27)15-25-22(26-20)24-14-16-6-2-1-3-7-16/h4-5,8-9,15-16H,1-3,6-7,10-14H2,(H,24,25,26).
What are the key properties of [2-(cyclohexylmethylamino)-4-(2-fluorophenyl)pyrimidin-5-yl]-morpholin-4-ylmethanone?
[2-(cyclohexylmethylamino)-4-(2-fluorophenyl)pyrimidin-5-yl]-morpholin-4-ylmethanone has a molecular weight of 398.48 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclohexylmethylamino)-4-(2-fluorophenyl)pyrimidin-5-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 59421187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).