3-[(5-bromo-2-chloropyrimidin-4-yl)amino]-4-methylpentan-1-ol

C10H15BrClN3O — CID 106352563

IUPAC3-[(5-bromo-2-chloropyrimidin-4-yl)amino]-4-methylpentan-1-ol
SMILESCC(C)C(CCO)Nc1nc(Cl)ncc1Br
InChIInChI=1S/C10H15BrClN3O/c1-6(2)8(3-4-16)14-9-7(11)5-13-10(12)15-9/h5-6,8,16H,3-4H2,1-2H3,(H,13,14,15)
InChIKeyRQLSTGUMXSWXRW-UHFFFAOYSA-N
MW308.61 g/mol
LogP2.71
Rot. Bonds5

About 3-[(5-bromo-2-chloropyrimidin-4-yl)amino]-4-methylpentan-1-ol

3-[(5-bromo-2-chloropyrimidin-4-yl)amino]-4-methylpentan-1-ol (PubChem CID 106352563) has the molecular formula C10H15BrClN3O and a molecular weight of 308.61 g/mol. Its IUPAC name is 3-[(5-bromo-2-chloropyrimidin-4-yl)amino]-4-methylpentan-1-ol.

Molecular Properties

Compound Name3-[(5-bromo-2-chloropyrimidin-4-yl)amino]-4-methylpentan-1-ol
PubChem CID106352563
Molecular FormulaC10H15BrClN3O
Molecular Weight308.61 g/mol
Exact Mass307.01
IUPAC Name3-[(5-bromo-2-chloropyrimidin-4-yl)amino]-4-methylpentan-1-ol
SMILESCC(C)C(CCO)Nc1nc(Cl)ncc1Br
InChIInChI=1S/C10H15BrClN3O/c1-6(2)8(3-4-16)14-9-7(11)5-13-10(12)15-9/h5-6,8,16H,3-4H2,1-2H3,(H,13,14,15)
InChIKeyRQLSTGUMXSWXRW-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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Related Compounds

3-[(2-amino-5-bromopyrimidin-4-yl)amino]-4-methylpentan-1-ol
CID 106358212
3-[(3-bromo-2-pyridinyl)amino]-4-methylpentan-1-ol
CID 106350440
4-[(5-bromo-2-chloropyrimidin-4-yl)amino]butan-2-ol
CID 79073499
(2R)-2-[(2-amino-5-bromopyrimidin-4-yl)amino]-3-methylbutan-1-ol
CID 58796222
5-bromo-2-chloro-N-(1,1,1-trifluoropropan-2-yl)pyrimidin-4-amine
CID 130908908
3-[(5-bromo-3-methyl-2-pyridinyl)amino]-4-methylpentan-1-ol
CID 106350476
5-bromo-2-chloro-N-(4-methylhexan-2-yl)pyrimidin-4-amine
CID 79072826
3-[(5-bromo-2-methylpyrimidin-4-yl)amino]butan-1-ol
CID 131183416
3-(5-bromo-2-chloropyrimidin-4-yl)sulfanylbutan-1-ol
CID 79073731
5-bromo-2-chloro-N-(1-pyridin-2-ylethyl)pyrimidin-4-amine
CID 79075980
2-[(5-bromo-2-chloropyrimidin-4-yl)amino]-2-methylpropan-1-ol
CID 58890950
5-bromo-2-chloro-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]pyrimidin-4-amine
CID 79072973

Frequently Asked Questions

What is the IUPAC name of 3-[(5-bromo-2-chloropyrimidin-4-yl)amino]-4-methylpentan-1-ol?
The IUPAC name of 3-[(5-bromo-2-chloropyrimidin-4-yl)amino]-4-methylpentan-1-ol (CID 106352563) is 3-[(5-bromo-2-chloropyrimidin-4-yl)amino]-4-methylpentan-1-ol.
What is the SMILES notation for 3-[(5-bromo-2-chloropyrimidin-4-yl)amino]-4-methylpentan-1-ol?
The canonical SMILES for 3-[(5-bromo-2-chloropyrimidin-4-yl)amino]-4-methylpentan-1-ol is CC(C)C(CCO)Nc1nc(Cl)ncc1Br.
What is the InChIKey of 3-[(5-bromo-2-chloropyrimidin-4-yl)amino]-4-methylpentan-1-ol?
The InChIKey is RQLSTGUMXSWXRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrClN3O/c1-6(2)8(3-4-16)14-9-7(11)5-13-10(12)15-9/h5-6,8,16H,3-4H2,1-2H3,(H,13,14,15).
What are the key properties of 3-[(5-bromo-2-chloropyrimidin-4-yl)amino]-4-methylpentan-1-ol?
3-[(5-bromo-2-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 3-[(5-bromo-2-chloropyrimidin-4-yl)amino]-4-methylpentan-1-ol is sourced from PubChem (CID 106352563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).