4-[[2-(ethylamino)-5-pyridin-2-ylpyrimidin-4-yl]amino]cyclohexan-1-ol

C17H23N5O — CID 72793047

IUPAC4-[[2-(ethylamino)-5-pyridin-2-ylpyrimidin-4-yl]amino]cyclohexan-1-ol
SMILESCCNc1ncc(-c2ccccn2)c(NC2CCC(O)CC2)n1
InChIInChI=1S/C17H23N5O/c1-2-18-17-20-11-14(15-5-3-4-10-19-15)16(22-17)21-12-6-8-13(23)9-7-12/h3-5,10-13,23H,2,6-9H2,1H3,(H2,18,20,21,22)
InChIKeyVMVCKKNFEIDAEX-UHFFFAOYSA-N
MW313.41 g/mol
LogP2.69
Rot. Bonds5

About 4-[[2-(ethylamino)-5-pyridin-2-ylpyrimidin-4-yl]amino]cyclohexan-1-ol

4-[[2-(ethylamino)-5-pyridin-2-ylpyrimidin-4-yl]amino]cyclohexan-1-ol (PubChem CID 72793047) has the molecular formula C17H23N5O and a molecular weight of 313.41 g/mol. Its IUPAC name is 4-[[2-(ethylamino)-5-pyridin-2-ylpyrimidin-4-yl]amino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[2-(ethylamino)-5-pyridin-2-ylpyrimidin-4-yl]amino]cyclohexan-1-ol
PubChem CID72793047
Molecular FormulaC17H23N5O
Molecular Weight313.41 g/mol
Exact Mass313.19
IUPAC Name4-[[2-(ethylamino)-5-pyridin-2-ylpyrimidin-4-yl]amino]cyclohexan-1-ol
SMILESCCNc1ncc(-c2ccccn2)c(NC2CCC(O)CC2)n1
InChIInChI=1S/C17H23N5O/c1-2-18-17-20-11-14(15-5-3-4-10-19-15)16(22-17)21-12-6-8-13(23)9-7-12/h3-5,10-13,23H,2,6-9H2,1H3,(H2,18,20,21,22)
InChIKeyVMVCKKNFEIDAEX-UHFFFAOYSA-N
XLogP2.69
TPSA82.96 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.41
LogP ≤ 52.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-(ethylamino)-5-pyridin-2-ylpyrimidin-4-yl]amino]cyclohexan-1-ol?
The IUPAC name of 4-[[2-(ethylamino)-5-pyridin-2-ylpyrimidin-4-yl]amino]cyclohexan-1-ol (CID 72793047) is 4-[[2-(ethylamino)-5-pyridin-2-ylpyrimidin-4-yl]amino]cyclohexan-1-ol.
What is the SMILES notation for 4-[[2-(ethylamino)-5-pyridin-2-ylpyrimidin-4-yl]amino]cyclohexan-1-ol?
The canonical SMILES for 4-[[2-(ethylamino)-5-pyridin-2-ylpyrimidin-4-yl]amino]cyclohexan-1-ol is CCNc1ncc(-c2ccccn2)c(NC2CCC(O)CC2)n1.
What is the InChIKey of 4-[[2-(ethylamino)-5-pyridin-2-ylpyrimidin-4-yl]amino]cyclohexan-1-ol?
The InChIKey is VMVCKKNFEIDAEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O/c1-2-18-17-20-11-14(15-5-3-4-10-19-15)16(22-17)21-12-6-8-13(23)9-7-12/h3-5,10-13,23H,2,6-9H2,1H3,(H2,18,20,21,22).
What are the key properties of 4-[[2-(ethylamino)-5-pyridin-2-ylpyrimidin-4-yl]amino]cyclohexan-1-ol?
4-[[2-(ethylamino)-5-pyridin-2-ylpyrimidin-4-yl]amino]cyclohexan-1-ol has a molecular weight of 313.41 g/mol, XLogP of 2.69, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(ethylamino)-5-pyridin-2-ylpyrimidin-4-yl]amino]cyclohexan-1-ol is sourced from PubChem (CID 72793047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).