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

C20H29N5O — CID 72793106

IUPAC4-[[2-(pentan-2-ylamino)-5-pyridin-2-ylpyrimidin-4-yl]amino]cyclohexan-1-ol
SMILESCCCC(C)Nc1ncc(-c2ccccn2)c(NC2CCC(O)CC2)n1
InChIInChI=1S/C20H29N5O/c1-3-6-14(2)23-20-22-13-17(18-7-4-5-12-21-18)19(25-20)24-15-8-10-16(26)11-9-15/h4-5,7,12-16,26H,3,6,8-11H2,1-2H3,(H2,22,23,24,25)
InChIKeyGJZCXJLZZFATOM-UHFFFAOYSA-N
MW355.49 g/mol
LogP3.85
Rot. Bonds7

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

4-[[2-(pentan-2-ylamino)-5-pyridin-2-ylpyrimidin-4-yl]amino]cyclohexan-1-ol (PubChem CID 72793106) has the molecular formula C20H29N5O and a molecular weight of 355.49 g/mol. Its IUPAC name is 4-[[2-(pentan-2-ylamino)-5-pyridin-2-ylpyrimidin-4-yl]amino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[2-(pentan-2-ylamino)-5-pyridin-2-ylpyrimidin-4-yl]amino]cyclohexan-1-ol
PubChem CID72793106
Molecular FormulaC20H29N5O
Molecular Weight355.49 g/mol
Exact Mass355.24
IUPAC Name4-[[2-(pentan-2-ylamino)-5-pyridin-2-ylpyrimidin-4-yl]amino]cyclohexan-1-ol
SMILESCCCC(C)Nc1ncc(-c2ccccn2)c(NC2CCC(O)CC2)n1
InChIInChI=1S/C20H29N5O/c1-3-6-14(2)23-20-22-13-17(18-7-4-5-12-21-18)19(25-20)24-15-8-10-16(26)11-9-15/h4-5,7,12-16,26H,3,6,8-11H2,1-2H3,(H2,22,23,24,25)
InChIKeyGJZCXJLZZFATOM-UHFFFAOYSA-N
XLogP3.85
TPSA82.96 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.49
LogP ≤ 53.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-(pentan-2-ylamino)-5-pyridin-2-ylpyrimidin-4-yl]amino]cyclohexan-1-ol?
The IUPAC name of 4-[[2-(pentan-2-ylamino)-5-pyridin-2-ylpyrimidin-4-yl]amino]cyclohexan-1-ol (CID 72793106) is 4-[[2-(pentan-2-ylamino)-5-pyridin-2-ylpyrimidin-4-yl]amino]cyclohexan-1-ol.
What is the SMILES notation for 4-[[2-(pentan-2-ylamino)-5-pyridin-2-ylpyrimidin-4-yl]amino]cyclohexan-1-ol?
The canonical SMILES for 4-[[2-(pentan-2-ylamino)-5-pyridin-2-ylpyrimidin-4-yl]amino]cyclohexan-1-ol is CCCC(C)Nc1ncc(-c2ccccn2)c(NC2CCC(O)CC2)n1.
What is the InChIKey of 4-[[2-(pentan-2-ylamino)-5-pyridin-2-ylpyrimidin-4-yl]amino]cyclohexan-1-ol?
The InChIKey is GJZCXJLZZFATOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O/c1-3-6-14(2)23-20-22-13-17(18-7-4-5-12-21-18)19(25-20)24-15-8-10-16(26)11-9-15/h4-5,7,12-16,26H,3,6,8-11H2,1-2H3,(H2,22,23,24,25).
What are the key properties of 4-[[2-(pentan-2-ylamino)-5-pyridin-2-ylpyrimidin-4-yl]amino]cyclohexan-1-ol?
4-[[2-(pentan-2-ylamino)-5-pyridin-2-ylpyrimidin-4-yl]amino]cyclohexan-1-ol has a molecular weight of 355.49 g/mol, XLogP of 3.85, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(pentan-2-ylamino)-5-pyridin-2-ylpyrimidin-4-yl]amino]cyclohexan-1-ol is sourced from PubChem (CID 72793106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).