[(9aR)-8-(6-ethyl-5-fluoropyrimidin-4-yl)-1,3,4,6,7,9-hexahydropyrazino[2,1-c][1,4]oxazin-9a-yl]methanol

C14H21FN4O2 — CID 164635082

IUPAC[(9aR)-8-(6-ethyl-5-fluoropyrimidin-4-yl)-1,3,4,6,7,9-hexahydropyrazino[2,1-c][1,4]oxazin-9a-yl]methanol
SMILESCCc1ncnc(N2CCN3CCOC[C@]3(CO)C2)c1F
InChIInChI=1S/C14H21FN4O2/c1-2-11-12(15)13(17-10-16-11)18-3-4-19-5-6-21-9-14(19,7-18)8-20/h10,20H,2-9H2,1H3/t14-/m1/s1
InChIKeyNXMRXAGOYMJFSO-CQSZACIVSA-N
MW296.35 g/mol
LogP0.06
Rot. Bonds3

About [(9aR)-8-(6-ethyl-5-fluoropyrimidin-4-yl)-1,3,4,6,7,9-hexahydropyrazino[2,1-c][1,4]oxazin-9a-yl]methanol

[(9aR)-8-(6-ethyl-5-fluoropyrimidin-4-yl)-1,3,4,6,7,9-hexahydropyrazino[2,1-c][1,4]oxazin-9a-yl]methanol (PubChem CID 164635082) has the molecular formula C14H21FN4O2 and a molecular weight of 296.35 g/mol. Its IUPAC name is [(9aR)-8-(6-ethyl-5-fluoropyrimidin-4-yl)-1,3,4,6,7,9-hexahydropyrazino[2,1-c][1,4]oxazin-9a-yl]methanol.

Molecular Properties

Compound Name[(9aR)-8-(6-ethyl-5-fluoropyrimidin-4-yl)-1,3,4,6,7,9-hexahydropyrazino[2,1-c][1,4]oxazin-9a-yl]methanol
PubChem CID164635082
Molecular FormulaC14H21FN4O2
Molecular Weight296.35 g/mol
Exact Mass296.16
IUPAC Name[(9aR)-8-(6-ethyl-5-fluoropyrimidin-4-yl)-1,3,4,6,7,9-hexahydropyrazino[2,1-c][1,4]oxazin-9a-yl]methanol
SMILESCCc1ncnc(N2CCN3CCOC[C@]3(CO)C2)c1F
InChIInChI=1S/C14H21FN4O2/c1-2-11-12(15)13(17-10-16-11)18-3-4-19-5-6-21-9-14(19,7-18)8-20/h10,20H,2-9H2,1H3/t14-/m1/s1
InChIKeyNXMRXAGOYMJFSO-CQSZACIVSA-N
XLogP0.06
TPSA61.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [(9aR)-8-(6-ethyl-5-fluoropyrimidin-4-yl)-1,3,4,6,7,9-hexahydropyrazino[2,1-c][1,4]oxazin-9a-yl]methanol with MolForge

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Related Compounds

2-[4-(6-Ethyl-5-fluoropyrimidin-4-yl)morpholin-3-yl]ethanol
CID 84598943
(6S)-2,2,6-trimethyl-4-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)morpholine
CID 97850198
2-[4-(6-Ethyl-5-fluoropyrimidin-4-yl)piperazin-1-yl]propan-1-ol
CID 75437962
4-[[1-(6-Ethyl-5-fluoropyrimidin-4-yl)pyrrolidin-2-yl]methyl]morpholine
CID 86817150
(2S)-2-[4-(6-ethyl-5-fluoropyrimidin-4-yl)piperazin-1-yl]propan-1-ol
CID 97331717
(2R)-2-[4-(6-ethyl-5-fluoropyrimidin-4-yl)piperazin-1-yl]propan-1-ol
CID 97331718
2-[(3S)-4-(6-ethyl-5-fluoropyrimidin-4-yl)morpholin-3-yl]ethanol
CID 97610464
2-[(3R)-4-(6-ethyl-5-fluoropyrimidin-4-yl)morpholin-3-yl]ethanol
CID 97610465
4-[[(2R)-1-(6-ethyl-5-fluoropyrimidin-4-yl)pyrrolidin-2-yl]methyl]morpholine
CID 99714331
4-[[(2S)-1-(6-ethyl-5-fluoropyrimidin-4-yl)pyrrolidin-2-yl]methyl]morpholine
CID 99714333
2-[4-(6-Ethyl-5-fluoropyrimidin-4-yl)piperazin-1-yl]ethanol
CID 103867410
1-(6-Ethyl-5-fluoropyrimidin-4-yl)piperidin-4-ol
CID 103867437

Frequently Asked Questions

What is the IUPAC name of [(9aR)-8-(6-ethyl-5-fluoropyrimidin-4-yl)-1,3,4,6,7,9-hexahydropyrazino[2,1-c][1,4]oxazin-9a-yl]methanol?
The IUPAC name of [(9aR)-8-(6-ethyl-5-fluoropyrimidin-4-yl)-1,3,4,6,7,9-hexahydropyrazino[2,1-c][1,4]oxazin-9a-yl]methanol (CID 164635082) is [(9aR)-8-(6-ethyl-5-fluoropyrimidin-4-yl)-1,3,4,6,7,9-hexahydropyrazino[2,1-c][1,4]oxazin-9a-yl]methanol.
What is the SMILES notation for [(9aR)-8-(6-ethyl-5-fluoropyrimidin-4-yl)-1,3,4,6,7,9-hexahydropyrazino[2,1-c][1,4]oxazin-9a-yl]methanol?
The canonical SMILES for [(9aR)-8-(6-ethyl-5-fluoropyrimidin-4-yl)-1,3,4,6,7,9-hexahydropyrazino[2,1-c][1,4]oxazin-9a-yl]methanol is CCc1ncnc(N2CCN3CCOC[C@]3(CO)C2)c1F.
What is the InChIKey of [(9aR)-8-(6-ethyl-5-fluoropyrimidin-4-yl)-1,3,4,6,7,9-hexahydropyrazino[2,1-c][1,4]oxazin-9a-yl]methanol?
The InChIKey is NXMRXAGOYMJFSO-CQSZACIVSA-N. The full InChI is InChI=1S/C14H21FN4O2/c1-2-11-12(15)13(17-10-16-11)18-3-4-19-5-6-21-9-14(19,7-18)8-20/h10,20H,2-9H2,1H3/t14-/m1/s1.
What are the key properties of [(9aR)-8-(6-ethyl-5-fluoropyrimidin-4-yl)-1,3,4,6,7,9-hexahydropyrazino[2,1-c][1,4]oxazin-9a-yl]methanol?
[(9aR)-8-(6-ethyl-5-fluoropyrimidin-4-yl)-1,3,4,6,7,9-hexahydropyrazino[2,1-c][1,4]oxazin-9a-yl]methanol has a molecular weight of 296.35 g/mol, XLogP of 0.06, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(9aR)-8-(6-ethyl-5-fluoropyrimidin-4-yl)-1,3,4,6,7,9-hexahydropyrazino[2,1-c][1,4]oxazin-9a-yl]methanol is sourced from PubChem (CID 164635082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).