4-[4-(methylamino)cyclohexyl]oxy-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile

C14H17N5O — CID 123746167

IUPAC4-[4-(methylamino)cyclohexyl]oxy-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
SMILESCNC1CCC(Oc2ncnc3[nH]cc(C#N)c23)CC1
InChIInChI=1S/C14H17N5O/c1-16-10-2-4-11(5-3-10)20-14-12-9(6-15)7-17-13(12)18-8-19-14/h7-8,10-11,16H,2-5H2,1H3,(H,17,18,19)
InChIKeyOCECWVZVGDQBOY-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.74
Rot. Bonds3

About 4-[4-(methylamino)cyclohexyl]oxy-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile

4-[4-(methylamino)cyclohexyl]oxy-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile (PubChem CID 123746167) has the molecular formula C14H17N5O and a molecular weight of 271.32 g/mol. Its IUPAC name is 4-[4-(methylamino)cyclohexyl]oxy-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-[4-(methylamino)cyclohexyl]oxy-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
PubChem CID123746167
Molecular FormulaC14H17N5O
Molecular Weight271.32 g/mol
Exact Mass271.14
IUPAC Name4-[4-(methylamino)cyclohexyl]oxy-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
SMILESCNC1CCC(Oc2ncnc3[nH]cc(C#N)c23)CC1
InChIInChI=1S/C14H17N5O/c1-16-10-2-4-11(5-3-10)20-14-12-9(6-15)7-17-13(12)18-8-19-14/h7-8,10-11,16H,2-5H2,1H3,(H,17,18,19)
InChIKeyOCECWVZVGDQBOY-UHFFFAOYSA-N
XLogP1.74
TPSA86.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-propan-2-ylcyclohexyl)oxy-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
CID 123691548
4-(hydroxyamino)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
CID 143260927
4-piperidin-1-yl-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
CID 22484488
4-(7-methoxyquinazolin-4-yl)oxy-N-methylcyclohexan-1-amine
CID 152704088
2-[12-[4-(methylamino)cyclohexyl]oxy-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-3-yl]ethanol
CID 77411425
4-(3,3-dimethylpyrrolidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
CID 177211787
(E)-5-[4-(4,4-difluorocyclohexyl)oxy-7H-pyrrolo[2,3-d]pyrimidin-5-yl]pent-4-en-2-one
CID 123343367
N-methyl-4-pyrimidin-2-yloxycyclohexan-1-amine
CID 20607230
(E)-4-[4-(4,4-difluorocyclohexyl)oxy-7H-pyrrolo[2,3-d]pyrimidin-5-yl]but-3-en-2-one
CID 90027763
3-chloro-4-methyl-5-[4-(methylamino)cyclohexyl]oxypyridine-2-carbonitrile
CID 176986469
4-[4-(4,4-difluorocyclohexyl)oxy-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-N-methylbut-2-enamide
CID 123375584
2-[[4-(methylamino)cyclohexyl]amino]pyridine-3-carbonitrile
CID 79110256

Frequently Asked Questions

What is the IUPAC name of 4-[4-(methylamino)cyclohexyl]oxy-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile?
The IUPAC name of 4-[4-(methylamino)cyclohexyl]oxy-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile (CID 123746167) is 4-[4-(methylamino)cyclohexyl]oxy-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile.
What is the SMILES notation for 4-[4-(methylamino)cyclohexyl]oxy-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile?
The canonical SMILES for 4-[4-(methylamino)cyclohexyl]oxy-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile is CNC1CCC(Oc2ncnc3[nH]cc(C#N)c23)CC1.
What is the InChIKey of 4-[4-(methylamino)cyclohexyl]oxy-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile?
The InChIKey is OCECWVZVGDQBOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O/c1-16-10-2-4-11(5-3-10)20-14-12-9(6-15)7-17-13(12)18-8-19-14/h7-8,10-11,16H,2-5H2,1H3,(H,17,18,19).
What are the key properties of 4-[4-(methylamino)cyclohexyl]oxy-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile?
4-[4-(methylamino)cyclohexyl]oxy-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile has a molecular weight of 271.32 g/mol, XLogP of 1.74, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(methylamino)cyclohexyl]oxy-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile is sourced from PubChem (CID 123746167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).