4-[[4-(1-methyl-5-piperazin-1-ylpyrazol-4-yl)pyrimidin-2-yl]amino]cyclohexan-1-ol

C18H27N7O — CID 143575101

IUPAC4-[[4-(1-methyl-5-piperazin-1-ylpyrazol-4-yl)pyrimidin-2-yl]amino]cyclohexan-1-ol
SMILESCn1ncc(-c2ccnc(NC3CCC(O)CC3)n2)c1N1CCNCC1
InChIInChI=1S/C18H27N7O/c1-24-17(25-10-8-19-9-11-25)15(12-21-24)16-6-7-20-18(23-16)22-13-2-4-14(26)5-3-13/h6-7,12-14,19,26H,2-5,8-11H2,1H3,(H,20,22,23)
InChIKeyHMDAFLVINKOBBZ-UHFFFAOYSA-N
MW357.46 g/mol
LogP1.00
Rot. Bonds4

About 4-[[4-(1-methyl-5-piperazin-1-ylpyrazol-4-yl)pyrimidin-2-yl]amino]cyclohexan-1-ol

4-[[4-(1-methyl-5-piperazin-1-ylpyrazol-4-yl)pyrimidin-2-yl]amino]cyclohexan-1-ol (PubChem CID 143575101) has the molecular formula C18H27N7O and a molecular weight of 357.46 g/mol. Its IUPAC name is 4-[[4-(1-methyl-5-piperazin-1-ylpyrazol-4-yl)pyrimidin-2-yl]amino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[4-(1-methyl-5-piperazin-1-ylpyrazol-4-yl)pyrimidin-2-yl]amino]cyclohexan-1-ol
PubChem CID143575101
Molecular FormulaC18H27N7O
Molecular Weight357.46 g/mol
Exact Mass357.23
IUPAC Name4-[[4-(1-methyl-5-piperazin-1-ylpyrazol-4-yl)pyrimidin-2-yl]amino]cyclohexan-1-ol
SMILESCn1ncc(-c2ccnc(NC3CCC(O)CC3)n2)c1N1CCNCC1
InChIInChI=1S/C18H27N7O/c1-24-17(25-10-8-19-9-11-25)15(12-21-24)16-6-7-20-18(23-16)22-13-2-4-14(26)5-3-13/h6-7,12-14,19,26H,2-5,8-11H2,1H3,(H,20,22,23)
InChIKeyHMDAFLVINKOBBZ-UHFFFAOYSA-N
XLogP1.00
TPSA91.13 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 51.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-(1-methyl-5-piperazin-1-ylpyrazol-4-yl)pyrimidin-2-yl]amino]cyclohexan-1-ol?
The IUPAC name of 4-[[4-(1-methyl-5-piperazin-1-ylpyrazol-4-yl)pyrimidin-2-yl]amino]cyclohexan-1-ol (CID 143575101) is 4-[[4-(1-methyl-5-piperazin-1-ylpyrazol-4-yl)pyrimidin-2-yl]amino]cyclohexan-1-ol.
What is the SMILES notation for 4-[[4-(1-methyl-5-piperazin-1-ylpyrazol-4-yl)pyrimidin-2-yl]amino]cyclohexan-1-ol?
The canonical SMILES for 4-[[4-(1-methyl-5-piperazin-1-ylpyrazol-4-yl)pyrimidin-2-yl]amino]cyclohexan-1-ol is Cn1ncc(-c2ccnc(NC3CCC(O)CC3)n2)c1N1CCNCC1.
What is the InChIKey of 4-[[4-(1-methyl-5-piperazin-1-ylpyrazol-4-yl)pyrimidin-2-yl]amino]cyclohexan-1-ol?
The InChIKey is HMDAFLVINKOBBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N7O/c1-24-17(25-10-8-19-9-11-25)15(12-21-24)16-6-7-20-18(23-16)22-13-2-4-14(26)5-3-13/h6-7,12-14,19,26H,2-5,8-11H2,1H3,(H,20,22,23).
What are the key properties of 4-[[4-(1-methyl-5-piperazin-1-ylpyrazol-4-yl)pyrimidin-2-yl]amino]cyclohexan-1-ol?
4-[[4-(1-methyl-5-piperazin-1-ylpyrazol-4-yl)pyrimidin-2-yl]amino]cyclohexan-1-ol has a molecular weight of 357.46 g/mol, XLogP of 1.00, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(1-methyl-5-piperazin-1-ylpyrazol-4-yl)pyrimidin-2-yl]amino]cyclohexan-1-ol is sourced from PubChem (CID 143575101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).