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

C15H20N6 — CID 72709739

IUPAC4-[[4-(dimethylamino)cyclohexyl]amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
SMILESCN(C)C1CCC(Nc2ncnc3[nH]cc(C#N)c23)CC1
InChIInChI=1S/C15H20N6/c1-21(2)12-5-3-11(4-6-12)20-15-13-10(7-16)8-17-14(13)18-9-19-15/h8-9,11-12H,3-6H2,1-2H3,(H2,17,18,19,20)
InChIKeyVDZSFYDRMJKXEK-UHFFFAOYSA-N
MW284.37 g/mol
LogP2.11
Rot. Bonds3

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

4-[[4-(dimethylamino)cyclohexyl]amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile (PubChem CID 72709739) has the molecular formula C15H20N6 and a molecular weight of 284.37 g/mol. Its IUPAC name is 4-[[4-(dimethylamino)cyclohexyl]amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-[[4-(dimethylamino)cyclohexyl]amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
PubChem CID72709739
Molecular FormulaC15H20N6
Molecular Weight284.37 g/mol
Exact Mass284.17
IUPAC Name4-[[4-(dimethylamino)cyclohexyl]amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
SMILESCN(C)C1CCC(Nc2ncnc3[nH]cc(C#N)c23)CC1
InChIInChI=1S/C15H20N6/c1-21(2)12-5-3-11(4-6-12)20-15-13-10(7-16)8-17-14(13)18-9-19-15/h8-9,11-12H,3-6H2,1-2H3,(H2,17,18,19,20)
InChIKeyVDZSFYDRMJKXEK-UHFFFAOYSA-N
XLogP2.11
TPSA80.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.37
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-(dimethylamino)cyclohexyl]amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile?
The IUPAC name of 4-[[4-(dimethylamino)cyclohexyl]amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile (CID 72709739) is 4-[[4-(dimethylamino)cyclohexyl]amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile.
What is the SMILES notation for 4-[[4-(dimethylamino)cyclohexyl]amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile?
The canonical SMILES for 4-[[4-(dimethylamino)cyclohexyl]amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile is CN(C)C1CCC(Nc2ncnc3[nH]cc(C#N)c23)CC1.
What is the InChIKey of 4-[[4-(dimethylamino)cyclohexyl]amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile?
The InChIKey is VDZSFYDRMJKXEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6/c1-21(2)12-5-3-11(4-6-12)20-15-13-10(7-16)8-17-14(13)18-9-19-15/h8-9,11-12H,3-6H2,1-2H3,(H2,17,18,19,20).
What are the key properties of 4-[[4-(dimethylamino)cyclohexyl]amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile?
4-[[4-(dimethylamino)cyclohexyl]amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile has a molecular weight of 284.37 g/mol, XLogP of 2.11, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(dimethylamino)cyclohexyl]amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile is sourced from PubChem (CID 72709739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).