1-[[4-[(5-bromopyrimidin-4-yl)amino]piperidin-1-yl]methyl]cyclohexan-1-ol

C16H25BrN4O — CID 99714830

IUPAC1-[[4-[(5-bromopyrimidin-4-yl)amino]piperidin-1-yl]methyl]cyclohexan-1-ol
SMILESOC1(CN2CCC(Nc3ncncc3Br)CC2)CCCCC1
InChIInChI=1S/C16H25BrN4O/c17-14-10-18-12-19-15(14)20-13-4-8-21(9-5-13)11-16(22)6-2-1-3-7-16/h10,12-13,22H,1-9,11H2,(H,18,19,20)
InChIKeyDUIHACUMYXGWCX-UHFFFAOYSA-N
MW369.31 g/mol
LogP2.81
Rot. Bonds4

About 1-[[4-[(5-bromopyrimidin-4-yl)amino]piperidin-1-yl]methyl]cyclohexan-1-ol

1-[[4-[(5-bromopyrimidin-4-yl)amino]piperidin-1-yl]methyl]cyclohexan-1-ol (PubChem CID 99714830) has the molecular formula C16H25BrN4O and a molecular weight of 369.31 g/mol. Its IUPAC name is 1-[[4-[(5-bromopyrimidin-4-yl)amino]piperidin-1-yl]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[[4-[(5-bromopyrimidin-4-yl)amino]piperidin-1-yl]methyl]cyclohexan-1-ol
PubChem CID99714830
Molecular FormulaC16H25BrN4O
Molecular Weight369.31 g/mol
Exact Mass368.12
IUPAC Name1-[[4-[(5-bromopyrimidin-4-yl)amino]piperidin-1-yl]methyl]cyclohexan-1-ol
SMILESOC1(CN2CCC(Nc3ncncc3Br)CC2)CCCCC1
InChIInChI=1S/C16H25BrN4O/c17-14-10-18-12-19-15(14)20-13-4-8-21(9-5-13)11-16(22)6-2-1-3-7-16/h10,12-13,22H,1-9,11H2,(H,18,19,20)
InChIKeyDUIHACUMYXGWCX-UHFFFAOYSA-N
XLogP2.81
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.31
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-[(5-bromopyrimidin-4-yl)amino]piperidin-1-yl]methyl]cyclohexan-1-ol?
The IUPAC name of 1-[[4-[(5-bromopyrimidin-4-yl)amino]piperidin-1-yl]methyl]cyclohexan-1-ol (CID 99714830) is 1-[[4-[(5-bromopyrimidin-4-yl)amino]piperidin-1-yl]methyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[[4-[(5-bromopyrimidin-4-yl)amino]piperidin-1-yl]methyl]cyclohexan-1-ol?
The canonical SMILES for 1-[[4-[(5-bromopyrimidin-4-yl)amino]piperidin-1-yl]methyl]cyclohexan-1-ol is OC1(CN2CCC(Nc3ncncc3Br)CC2)CCCCC1.
What is the InChIKey of 1-[[4-[(5-bromopyrimidin-4-yl)amino]piperidin-1-yl]methyl]cyclohexan-1-ol?
The InChIKey is DUIHACUMYXGWCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25BrN4O/c17-14-10-18-12-19-15(14)20-13-4-8-21(9-5-13)11-16(22)6-2-1-3-7-16/h10,12-13,22H,1-9,11H2,(H,18,19,20).
What are the key properties of 1-[[4-[(5-bromopyrimidin-4-yl)amino]piperidin-1-yl]methyl]cyclohexan-1-ol?
1-[[4-[(5-bromopyrimidin-4-yl)amino]piperidin-1-yl]methyl]cyclohexan-1-ol has a molecular weight of 369.31 g/mol, XLogP of 2.81, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[(5-bromopyrimidin-4-yl)amino]piperidin-1-yl]methyl]cyclohexan-1-ol is sourced from PubChem (CID 99714830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).