trans-(1S,2S)-2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]cyclohexane-1-carboxamide

C13H19FN4O — CID 129471337

IUPACtrans-(1S,2S)-2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]cyclohexane-1-carboxamide
SMILESCCc1ncnc(N[C@H]2CCCC[C@@H]2C(N)=O)c1F
InChIInChI=1S/C13H19FN4O/c1-2-9-11(14)13(17-7-16-9)18-10-6-4-3-5-8(10)12(15)19/h7-8,10H,2-6H2,1H3,(H2,15,19)(H,16,17,18)/t8-,10-/m0/s1
InChIKeyAMQQPSJXNIHLPW-WPRPVWTQSA-N
MW266.32 g/mol
LogP1.63
Rot. Bonds4

About trans-(1S,2S)-2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]cyclohexane-1-carboxamide

trans-(1S,2S)-2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]cyclohexane-1-carboxamide (PubChem CID 129471337) has the molecular formula C13H19FN4O and a molecular weight of 266.32 g/mol. Its IUPAC name is trans-(1S,2S)-2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]cyclohexane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1S,2S)-2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]cyclohexane-1-carboxamide
PubChem CID129471337
Molecular FormulaC13H19FN4O
Molecular Weight266.32 g/mol
Exact Mass266.15
IUPAC Nametrans-(1S,2S)-2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]cyclohexane-1-carboxamide
SMILESCCc1ncnc(N[C@H]2CCCC[C@@H]2C(N)=O)c1F
InChIInChI=1S/C13H19FN4O/c1-2-9-11(14)13(17-7-16-9)18-10-6-4-3-5-8(10)12(15)19/h7-8,10H,2-6H2,1H3,(H2,15,19)(H,16,17,18)/t8-,10-/m0/s1
InChIKeyAMQQPSJXNIHLPW-WPRPVWTQSA-N
XLogP1.63
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N~3~-(2-amino-6-ethyl-5-methylpyrimidin-4-yl)-N~1~-cyclohexyl-beta-alaninamide
CID 72885252
2-Cyclopentyl-1-[4-(propan-2-ylamino)-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-7-yl]ethanone
CID 97516511
2-[(6-Ethyl-5-fluoropyrimidin-4-yl)amino]cyclohexane-1-carboxamide
CID 121583005
(3S)-1-(6-ethyl-5-fluoropyrimidin-4-yl)pyrrolidine-3-carboxamide
CID 164629934
(1S,6S)-6-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]cyclohex-3-ene-1-carboxamide
CID 164631446
6-ethyl-5-fluoro-N-(4-methylcyclohexyl)pyrimidin-4-amine
CID 103867425
3-[1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-3-yl]-N-methyl-N-(1-methylpiperidin-4-yl)propanamide
CID 72921630
3-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-N-propan-2-ylcyclohexane-1-carboxamide
CID 75437980
Cyclopentyl-[4-[2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]ethyl]piperazin-1-yl]methanone
CID 75514646
cis-(1S,3R)-3-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-N-propan-2-ylcyclohexane-1-carboxamide
CID 97331727
trans-(1S,3S)-3-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-N-propan-2-ylcyclohexane-1-carboxamide
CID 97331728
trans-(1R,3R)-3-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-N-propan-2-ylcyclohexane-1-carboxamide
CID 97331729

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]cyclohexane-1-carboxamide?
The IUPAC name of trans-(1S,2S)-2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]cyclohexane-1-carboxamide (CID 129471337) is trans-(1S,2S)-2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]cyclohexane-1-carboxamide.
What is the SMILES notation for trans-(1S,2S)-2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]cyclohexane-1-carboxamide?
The canonical SMILES for trans-(1S,2S)-2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]cyclohexane-1-carboxamide is CCc1ncnc(N[C@H]2CCCC[C@@H]2C(N)=O)c1F.
What is the InChIKey of trans-(1S,2S)-2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]cyclohexane-1-carboxamide?
The InChIKey is AMQQPSJXNIHLPW-WPRPVWTQSA-N. The full InChI is InChI=1S/C13H19FN4O/c1-2-9-11(14)13(17-7-16-9)18-10-6-4-3-5-8(10)12(15)19/h7-8,10H,2-6H2,1H3,(H2,15,19)(H,16,17,18)/t8-,10-/m0/s1.
What are the key properties of trans-(1S,2S)-2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]cyclohexane-1-carboxamide?
trans-(1S,2S)-2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]cyclohexane-1-carboxamide has a molecular weight of 266.32 g/mol, XLogP of 1.63, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]cyclohexane-1-carboxamide is sourced from PubChem (CID 129471337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).