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

C16H20N4O — CID 123691548

IUPAC4-(4-propan-2-ylcyclohexyl)oxy-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
SMILESCC(C)C1CCC(Oc2ncnc3[nH]cc(C#N)c23)CC1
InChIInChI=1S/C16H20N4O/c1-10(2)11-3-5-13(6-4-11)21-16-14-12(7-17)8-18-15(14)19-9-20-16/h8-11,13H,3-6H2,1-2H3,(H,18,19,20)
InChIKeyRNVGLZXXZWUXDO-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.42
Rot. Bonds3

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

4-(4-propan-2-ylcyclohexyl)oxy-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile (PubChem CID 123691548) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 4-(4-propan-2-ylcyclohexyl)oxy-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-(4-propan-2-ylcyclohexyl)oxy-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
PubChem CID123691548
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name4-(4-propan-2-ylcyclohexyl)oxy-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
SMILESCC(C)C1CCC(Oc2ncnc3[nH]cc(C#N)c23)CC1
InChIInChI=1S/C16H20N4O/c1-10(2)11-3-5-13(6-4-11)21-16-14-12(7-17)8-18-15(14)19-9-20-16/h8-11,13H,3-6H2,1-2H3,(H,18,19,20)
InChIKeyRNVGLZXXZWUXDO-UHFFFAOYSA-N
XLogP3.42
TPSA74.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-(methylamino)cyclohexyl]oxy-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
CID 123746167
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
(E)-5-[4-(4,4-difluorocyclohexyl)oxy-7H-pyrrolo[2,3-d]pyrimidin-5-yl]pent-4-en-2-one
CID 123343367
(E)-4-[4-(4,4-difluorocyclohexyl)oxy-7H-pyrrolo[2,3-d]pyrimidin-5-yl]but-3-en-2-one
CID 90027763
4-[(4-propan-2-yloxy-7-azabicyclo[4.2.0]octa-1(8),2,4,6-tetraen-3-yl)amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
CID 123381435
4-(3,3-dimethylpyrrolidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
CID 177211787
4-[4-(2-methylpropoxy)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]pyridazine-3-carbonitrile
CID 118236994
4-[4-(4,4-difluorocyclohexyl)oxy-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-N-methylbut-2-enamide
CID 123375584
4-(1-ethyl-3-azabicyclo[3.1.0]hexan-3-yl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
CID 177211750
2-[4-(2-methylpropoxy)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-1,3-oxazole-4-carbonitrile
CID 136970240
(E)-4-[4-(4,4-difluorocyclohexyl)oxy-7H-pyrrolo[2,3-d]pyrimidin-5-yl]but-2-enamide
CID 118236739

Frequently Asked Questions

What is the IUPAC name of 4-(4-propan-2-ylcyclohexyl)oxy-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile?
The IUPAC name of 4-(4-propan-2-ylcyclohexyl)oxy-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile (CID 123691548) is 4-(4-propan-2-ylcyclohexyl)oxy-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile.
What is the SMILES notation for 4-(4-propan-2-ylcyclohexyl)oxy-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile?
The canonical SMILES for 4-(4-propan-2-ylcyclohexyl)oxy-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile is CC(C)C1CCC(Oc2ncnc3[nH]cc(C#N)c23)CC1.
What is the InChIKey of 4-(4-propan-2-ylcyclohexyl)oxy-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile?
The InChIKey is RNVGLZXXZWUXDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-10(2)11-3-5-13(6-4-11)21-16-14-12(7-17)8-18-15(14)19-9-20-16/h8-11,13H,3-6H2,1-2H3,(H,18,19,20).
What are the key properties of 4-(4-propan-2-ylcyclohexyl)oxy-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile?
4-(4-propan-2-ylcyclohexyl)oxy-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile has a molecular weight of 284.36 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-propan-2-ylcyclohexyl)oxy-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile is sourced from PubChem (CID 123691548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).