2-[(5-bromo-6-chloropyrimidin-4-yl)amino]-4-methylpentan-1-ol

C10H15BrClN3O — CID 106194112

IUPAC2-[(5-bromo-6-chloropyrimidin-4-yl)amino]-4-methylpentan-1-ol
SMILESCC(C)CC(CO)Nc1ncnc(Cl)c1Br
InChIInChI=1S/C10H15BrClN3O/c1-6(2)3-7(4-16)15-10-8(11)9(12)13-5-14-10/h5-7,16H,3-4H2,1-2H3,(H,13,14,15)
InChIKeyPPABXQFVCSMOCW-UHFFFAOYSA-N
MW308.61 g/mol
LogP2.71
Rot. Bonds5

About 2-[(5-bromo-6-chloropyrimidin-4-yl)amino]-4-methylpentan-1-ol

2-[(5-bromo-6-chloropyrimidin-4-yl)amino]-4-methylpentan-1-ol (PubChem CID 106194112) has the molecular formula C10H15BrClN3O and a molecular weight of 308.61 g/mol. Its IUPAC name is 2-[(5-bromo-6-chloropyrimidin-4-yl)amino]-4-methylpentan-1-ol.

Molecular Properties

Compound Name2-[(5-bromo-6-chloropyrimidin-4-yl)amino]-4-methylpentan-1-ol
PubChem CID106194112
Molecular FormulaC10H15BrClN3O
Molecular Weight308.61 g/mol
Exact Mass307.01
IUPAC Name2-[(5-bromo-6-chloropyrimidin-4-yl)amino]-4-methylpentan-1-ol
SMILESCC(C)CC(CO)Nc1ncnc(Cl)c1Br
InChIInChI=1S/C10H15BrClN3O/c1-6(2)3-7(4-16)15-10-8(11)9(12)13-5-14-10/h5-7,16H,3-4H2,1-2H3,(H,13,14,15)
InChIKeyPPABXQFVCSMOCW-UHFFFAOYSA-N
XLogP2.71
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.61
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-6-chloropyrimidin-4-yl)amino]-4-methylpentan-1-ol?
The IUPAC name of 2-[(5-bromo-6-chloropyrimidin-4-yl)amino]-4-methylpentan-1-ol (CID 106194112) is 2-[(5-bromo-6-chloropyrimidin-4-yl)amino]-4-methylpentan-1-ol.
What is the SMILES notation for 2-[(5-bromo-6-chloropyrimidin-4-yl)amino]-4-methylpentan-1-ol?
The canonical SMILES for 2-[(5-bromo-6-chloropyrimidin-4-yl)amino]-4-methylpentan-1-ol is CC(C)CC(CO)Nc1ncnc(Cl)c1Br.
What is the InChIKey of 2-[(5-bromo-6-chloropyrimidin-4-yl)amino]-4-methylpentan-1-ol?
The InChIKey is PPABXQFVCSMOCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrClN3O/c1-6(2)3-7(4-16)15-10-8(11)9(12)13-5-14-10/h5-7,16H,3-4H2,1-2H3,(H,13,14,15).
What are the key properties of 2-[(5-bromo-6-chloropyrimidin-4-yl)amino]-4-methylpentan-1-ol?
2-[(5-bromo-6-chloropyrimidin-4-yl)amino]-4-methylpentan-1-ol has a molecular weight of 308.61 g/mol, XLogP of 2.71, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-6-chloropyrimidin-4-yl)amino]-4-methylpentan-1-ol is sourced from PubChem (CID 106194112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).