cis-(1R,2S)-2-[(5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclopentan-1-ol

C13H18N4O — CID 167830463

IUPACcis-(1R,2S)-2-[(5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclopentan-1-ol
SMILESCCc1c[nH]c2ncnc(N[C@H]3CCC[C@H]3O)c12
InChIInChI=1S/C13H18N4O/c1-2-8-6-14-12-11(8)13(16-7-15-12)17-9-4-3-5-10(9)18/h6-7,9-10,18H,2-5H2,1H3,(H2,14,15,16,17)/t9-,10+/m0/s1
InChIKeyPVPFLWWYEUOVJU-VHSXEESVSA-N
MW246.31 g/mol
LogP1.85
Rot. Bonds3

About cis-(1R,2S)-2-[(5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclopentan-1-ol

cis-(1R,2S)-2-[(5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclopentan-1-ol (PubChem CID 167830463) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is cis-(1R,2S)-2-[(5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclopentan-1-ol.

Molecular Properties

Compound Namecis-(1R,2S)-2-[(5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclopentan-1-ol
PubChem CID167830463
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Namecis-(1R,2S)-2-[(5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclopentan-1-ol
SMILESCCc1c[nH]c2ncnc(N[C@H]3CCC[C@H]3O)c12
InChIInChI=1S/C13H18N4O/c1-2-8-6-14-12-11(8)13(16-7-15-12)17-9-4-3-5-10(9)18/h6-7,9-10,18H,2-5H2,1H3,(H2,14,15,16,17)/t9-,10+/m0/s1
InChIKeyPVPFLWWYEUOVJU-VHSXEESVSA-N
XLogP1.85
TPSA73.83 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze cis-(1R,2S)-2-[(5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclopentan-1-ol with MolForge

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Related Compounds

N-(2,2-dimethylcyclohexyl)-5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 167960214
5-ethyl-N-(1-methoxypiperidin-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 167933059
4-N-(5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1-N,1-N,1-trimethylcyclohexane-1,4-diamine
CID 167793726
5-ethyl-N-(4-methoxy-4-methylcyclohexyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 167913724
[2-[(5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]spiro[3.5]nonan-7-yl]methanol
CID 167971272
5-ethyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 167897143
N-(1,2,2a,3,4,8b-hexahydrocyclobuta[a]naphthalen-2-yl)-5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 167871225
N-(5,5-dimethyloxolan-3-yl)-5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 167967827
2-[[5-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 80826428
5-ethyl-N-(8-oxaspiro[4.5]decan-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 167799843
4-cyclobutyl-1-(5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-ol
CID 167770192
N-butyl-5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 155187523

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-[(5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclopentan-1-ol?
The IUPAC name of cis-(1R,2S)-2-[(5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclopentan-1-ol (CID 167830463) is cis-(1R,2S)-2-[(5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclopentan-1-ol.
What is the SMILES notation for cis-(1R,2S)-2-[(5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclopentan-1-ol?
The canonical SMILES for cis-(1R,2S)-2-[(5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclopentan-1-ol is CCc1c[nH]c2ncnc(N[C@H]3CCC[C@H]3O)c12.
What is the InChIKey of cis-(1R,2S)-2-[(5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclopentan-1-ol?
The InChIKey is PVPFLWWYEUOVJU-VHSXEESVSA-N. The full InChI is InChI=1S/C13H18N4O/c1-2-8-6-14-12-11(8)13(16-7-15-12)17-9-4-3-5-10(9)18/h6-7,9-10,18H,2-5H2,1H3,(H2,14,15,16,17)/t9-,10+/m0/s1.
What are the key properties of cis-(1R,2S)-2-[(5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclopentan-1-ol?
cis-(1R,2S)-2-[(5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclopentan-1-ol has a molecular weight of 246.31 g/mol, XLogP of 1.85, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-[(5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclopentan-1-ol is sourced from PubChem (CID 167830463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).