[1-(2-amino-5-bromopyrimidin-4-yl)piperidin-4-yl]methanol

C10H15BrN4O — CID 80756578

IUPAC[1-(2-amino-5-bromopyrimidin-4-yl)piperidin-4-yl]methanol
SMILESNc1ncc(Br)c(N2CCC(CO)CC2)n1
InChIInChI=1S/C10H15BrN4O/c11-8-5-13-10(12)14-9(8)15-3-1-7(6-16)2-4-15/h5,7,16H,1-4,6H2,(H2,12,13,14)
InChIKeyMJRXAKKRJNFJLH-UHFFFAOYSA-N
MW287.16 g/mol
LogP1.03
Rot. Bonds2

About [1-(2-amino-5-bromopyrimidin-4-yl)piperidin-4-yl]methanol

[1-(2-amino-5-bromopyrimidin-4-yl)piperidin-4-yl]methanol (PubChem CID 80756578) has the molecular formula C10H15BrN4O and a molecular weight of 287.16 g/mol. Its IUPAC name is [1-(2-amino-5-bromopyrimidin-4-yl)piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-(2-amino-5-bromopyrimidin-4-yl)piperidin-4-yl]methanol
PubChem CID80756578
Molecular FormulaC10H15BrN4O
Molecular Weight287.16 g/mol
Exact Mass286.04
IUPAC Name[1-(2-amino-5-bromopyrimidin-4-yl)piperidin-4-yl]methanol
SMILESNc1ncc(Br)c(N2CCC(CO)CC2)n1
InChIInChI=1S/C10H15BrN4O/c11-8-5-13-10(12)14-9(8)15-3-1-7(6-16)2-4-15/h5,7,16H,1-4,6H2,(H2,12,13,14)
InChIKeyMJRXAKKRJNFJLH-UHFFFAOYSA-N
XLogP1.03
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.16
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-(2-amino-5-bromopyrimidin-4-yl)piperidin-4-yl]methanol?
The IUPAC name of [1-(2-amino-5-bromopyrimidin-4-yl)piperidin-4-yl]methanol (CID 80756578) is [1-(2-amino-5-bromopyrimidin-4-yl)piperidin-4-yl]methanol.
What is the SMILES notation for [1-(2-amino-5-bromopyrimidin-4-yl)piperidin-4-yl]methanol?
The canonical SMILES for [1-(2-amino-5-bromopyrimidin-4-yl)piperidin-4-yl]methanol is Nc1ncc(Br)c(N2CCC(CO)CC2)n1.
What is the InChIKey of [1-(2-amino-5-bromopyrimidin-4-yl)piperidin-4-yl]methanol?
The InChIKey is MJRXAKKRJNFJLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN4O/c11-8-5-13-10(12)14-9(8)15-3-1-7(6-16)2-4-15/h5,7,16H,1-4,6H2,(H2,12,13,14).
What are the key properties of [1-(2-amino-5-bromopyrimidin-4-yl)piperidin-4-yl]methanol?
[1-(2-amino-5-bromopyrimidin-4-yl)piperidin-4-yl]methanol has a molecular weight of 287.16 g/mol, XLogP of 1.03, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-amino-5-bromopyrimidin-4-yl)piperidin-4-yl]methanol is sourced from PubChem (CID 80756578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).