4-[[4-(1H-indol-3-yl)pyrimidin-2-yl]amino]cyclohexan-1-ol

C18H20N4O — CID 24960632

IUPAC4-[[4-(1H-indol-3-yl)pyrimidin-2-yl]amino]cyclohexan-1-ol
SMILESOC1CCC(Nc2nccc(-c3c[nH]c4ccccc34)n2)CC1
InChIInChI=1S/C18H20N4O/c23-13-7-5-12(6-8-13)21-18-19-10-9-17(22-18)15-11-20-16-4-2-1-3-14(15)16/h1-4,9-13,20,23H,5-8H2,(H,19,21,22)
InChIKeyCVPRZXVWXVVWIX-UHFFFAOYSA-N
MW308.38 g/mol
LogP3.34
Rot. Bonds3

About 4-[[4-(1H-indol-3-yl)pyrimidin-2-yl]amino]cyclohexan-1-ol

4-[[4-(1H-indol-3-yl)pyrimidin-2-yl]amino]cyclohexan-1-ol (PubChem CID 24960632) has the molecular formula C18H20N4O and a molecular weight of 308.38 g/mol. Its IUPAC name is 4-[[4-(1H-indol-3-yl)pyrimidin-2-yl]amino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[4-(1H-indol-3-yl)pyrimidin-2-yl]amino]cyclohexan-1-ol
PubChem CID24960632
Molecular FormulaC18H20N4O
Molecular Weight308.38 g/mol
Exact Mass308.16
IUPAC Name4-[[4-(1H-indol-3-yl)pyrimidin-2-yl]amino]cyclohexan-1-ol
SMILESOC1CCC(Nc2nccc(-c3c[nH]c4ccccc34)n2)CC1
InChIInChI=1S/C18H20N4O/c23-13-7-5-12(6-8-13)21-18-19-10-9-17(22-18)15-11-20-16-4-2-1-3-14(15)16/h1-4,9-13,20,23H,5-8H2,(H,19,21,22)
InChIKeyCVPRZXVWXVVWIX-UHFFFAOYSA-N
XLogP3.34
TPSA73.83 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-(1H-indol-3-yl)pyrimidin-2-yl]amino]cyclohexan-1-ol?
The IUPAC name of 4-[[4-(1H-indol-3-yl)pyrimidin-2-yl]amino]cyclohexan-1-ol (CID 24960632) is 4-[[4-(1H-indol-3-yl)pyrimidin-2-yl]amino]cyclohexan-1-ol.
What is the SMILES notation for 4-[[4-(1H-indol-3-yl)pyrimidin-2-yl]amino]cyclohexan-1-ol?
The canonical SMILES for 4-[[4-(1H-indol-3-yl)pyrimidin-2-yl]amino]cyclohexan-1-ol is OC1CCC(Nc2nccc(-c3c[nH]c4ccccc34)n2)CC1.
What is the InChIKey of 4-[[4-(1H-indol-3-yl)pyrimidin-2-yl]amino]cyclohexan-1-ol?
The InChIKey is CVPRZXVWXVVWIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O/c23-13-7-5-12(6-8-13)21-18-19-10-9-17(22-18)15-11-20-16-4-2-1-3-14(15)16/h1-4,9-13,20,23H,5-8H2,(H,19,21,22).
What are the key properties of 4-[[4-(1H-indol-3-yl)pyrimidin-2-yl]amino]cyclohexan-1-ol?
4-[[4-(1H-indol-3-yl)pyrimidin-2-yl]amino]cyclohexan-1-ol has a molecular weight of 308.38 g/mol, XLogP of 3.34, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(1H-indol-3-yl)pyrimidin-2-yl]amino]cyclohexan-1-ol is sourced from PubChem (CID 24960632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).