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

C20H29N5O — CID 72793107

IUPAC4-[[2-[butyl(methyl)amino]-5-pyridin-2-ylpyrimidin-4-yl]amino]cyclohexan-1-ol
SMILESCCCCN(C)c1ncc(-c2ccccn2)c(NC2CCC(O)CC2)n1
InChIInChI=1S/C20H29N5O/c1-3-4-13-25(2)20-22-14-17(18-7-5-6-12-21-18)19(24-20)23-15-8-10-16(26)11-9-15/h5-7,12,14-16,26H,3-4,8-11,13H2,1-2H3,(H,22,23,24)
InChIKeyNZKWELHADKRVPQ-UHFFFAOYSA-N
MW355.49 g/mol
LogP3.49
Rot. Bonds7

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

4-[[2-[butyl(methyl)amino]-5-pyridin-2-ylpyrimidin-4-yl]amino]cyclohexan-1-ol (PubChem CID 72793107) has the molecular formula C20H29N5O and a molecular weight of 355.49 g/mol. Its IUPAC name is 4-[[2-[butyl(methyl)amino]-5-pyridin-2-ylpyrimidin-4-yl]amino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[2-[butyl(methyl)amino]-5-pyridin-2-ylpyrimidin-4-yl]amino]cyclohexan-1-ol
PubChem CID72793107
Molecular FormulaC20H29N5O
Molecular Weight355.49 g/mol
Exact Mass355.24
IUPAC Name4-[[2-[butyl(methyl)amino]-5-pyridin-2-ylpyrimidin-4-yl]amino]cyclohexan-1-ol
SMILESCCCCN(C)c1ncc(-c2ccccn2)c(NC2CCC(O)CC2)n1
InChIInChI=1S/C20H29N5O/c1-3-4-13-25(2)20-22-14-17(18-7-5-6-12-21-18)19(24-20)23-15-8-10-16(26)11-9-15/h5-7,12,14-16,26H,3-4,8-11,13H2,1-2H3,(H,22,23,24)
InChIKeyNZKWELHADKRVPQ-UHFFFAOYSA-N
XLogP3.49
TPSA74.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.49
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-[butyl(methyl)amino]-5-pyridin-2-ylpyrimidin-4-yl]amino]cyclohexan-1-ol?
The IUPAC name of 4-[[2-[butyl(methyl)amino]-5-pyridin-2-ylpyrimidin-4-yl]amino]cyclohexan-1-ol (CID 72793107) is 4-[[2-[butyl(methyl)amino]-5-pyridin-2-ylpyrimidin-4-yl]amino]cyclohexan-1-ol.
What is the SMILES notation for 4-[[2-[butyl(methyl)amino]-5-pyridin-2-ylpyrimidin-4-yl]amino]cyclohexan-1-ol?
The canonical SMILES for 4-[[2-[butyl(methyl)amino]-5-pyridin-2-ylpyrimidin-4-yl]amino]cyclohexan-1-ol is CCCCN(C)c1ncc(-c2ccccn2)c(NC2CCC(O)CC2)n1.
What is the InChIKey of 4-[[2-[butyl(methyl)amino]-5-pyridin-2-ylpyrimidin-4-yl]amino]cyclohexan-1-ol?
The InChIKey is NZKWELHADKRVPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O/c1-3-4-13-25(2)20-22-14-17(18-7-5-6-12-21-18)19(24-20)23-15-8-10-16(26)11-9-15/h5-7,12,14-16,26H,3-4,8-11,13H2,1-2H3,(H,22,23,24).
What are the key properties of 4-[[2-[butyl(methyl)amino]-5-pyridin-2-ylpyrimidin-4-yl]amino]cyclohexan-1-ol?
4-[[2-[butyl(methyl)amino]-5-pyridin-2-ylpyrimidin-4-yl]amino]cyclohexan-1-ol has a molecular weight of 355.49 g/mol, XLogP of 3.49, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[butyl(methyl)amino]-5-pyridin-2-ylpyrimidin-4-yl]amino]cyclohexan-1-ol is sourced from PubChem (CID 72793107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).