2-amino-3-(4,6-dichloropyrimidin-5-yl)propan-1-ol;hydrochloride

C7H10Cl3N3O — CID 170892708

IUPAC2-amino-3-(4,6-dichloropyrimidin-5-yl)propan-1-ol;hydrochloride
SMILESCl.NC(CO)Cc1c(Cl)ncnc1Cl
InChIInChI=1S/C7H9Cl2N3O.ClH/c8-6-5(1-4(10)2-13)7(9)12-3-11-6;/h3-4,13H,1-2,10H2;1H
InChIKeyXFPWMCCDJQXDGB-UHFFFAOYSA-N
MW258.54 g/mol
LogP1.07
Rot. Bonds3

About 2-amino-3-(4,6-dichloropyrimidin-5-yl)propan-1-ol;hydrochloride

2-amino-3-(4,6-dichloropyrimidin-5-yl)propan-1-ol;hydrochloride (PubChem CID 170892708) has the molecular formula C7H10Cl3N3O and a molecular weight of 258.54 g/mol. Its IUPAC name is 2-amino-3-(4,6-dichloropyrimidin-5-yl)propan-1-ol;hydrochloride.

Molecular Properties

Compound Name2-amino-3-(4,6-dichloropyrimidin-5-yl)propan-1-ol;hydrochloride
PubChem CID170892708
Molecular FormulaC7H10Cl3N3O
Molecular Weight258.54 g/mol
Exact Mass256.99
IUPAC Name2-amino-3-(4,6-dichloropyrimidin-5-yl)propan-1-ol;hydrochloride
SMILESCl.NC(CO)Cc1c(Cl)ncnc1Cl
InChIInChI=1S/C7H9Cl2N3O.ClH/c8-6-5(1-4(10)2-13)7(9)12-3-11-6;/h3-4,13H,1-2,10H2;1H
InChIKeyXFPWMCCDJQXDGB-UHFFFAOYSA-N
XLogP1.07
TPSA72.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.54
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-3-(2-amino-4,6-dichloropyrimidin-5-yl)propan-1-ol;hydrochloride
CID 170892753
2-amino-3-(2-amino-4,6-dichloropyrimidin-5-yl)propan-1-ol
CID 130854232
2-amino-3-(2,6-dichlorophenyl)propan-1-ol
CID 18387991
2-amino-3-(6-chloro-3-pyridinyl)propan-1-ol;hydrochloride
CID 170892799
methyl 3-(4,6-dichloropyrimidin-5-yl)-2-methylpropanoate
CID 154663198
2-amino-3-(2-chloro-3,6-difluorophenyl)propan-1-ol
CID 131211507
2-amino-3-(2,4,6-trimethylphenyl)propan-1-ol;hydrochloride
CID 170891844
(2S)-2-amino-3-(2-chloro-6-fluorophenyl)propan-1-ol
CID 28804612
2-amino-3-(2,3,4,5,6-pentafluorophenyl)propan-1-ol
CID 131370592
2-amino-3-(2-chloroquinolin-3-yl)propan-1-ol;hydrochloride
CID 170893249
2-amino-3-(5-chlorothiophen-2-yl)propan-1-ol;hydrochloride
CID 170891756
(2S)-2-amino-3-pyrimidin-4-ylpropan-1-ol
CID 97304087

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(4,6-dichloropyrimidin-5-yl)propan-1-ol;hydrochloride?
The IUPAC name of 2-amino-3-(4,6-dichloropyrimidin-5-yl)propan-1-ol;hydrochloride (CID 170892708) is 2-amino-3-(4,6-dichloropyrimidin-5-yl)propan-1-ol;hydrochloride.
What is the SMILES notation for 2-amino-3-(4,6-dichloropyrimidin-5-yl)propan-1-ol;hydrochloride?
The canonical SMILES for 2-amino-3-(4,6-dichloropyrimidin-5-yl)propan-1-ol;hydrochloride is Cl.NC(CO)Cc1c(Cl)ncnc1Cl.
What is the InChIKey of 2-amino-3-(4,6-dichloropyrimidin-5-yl)propan-1-ol;hydrochloride?
The InChIKey is XFPWMCCDJQXDGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9Cl2N3O.ClH/c8-6-5(1-4(10)2-13)7(9)12-3-11-6;/h3-4,13H,1-2,10H2;1H.
What are the key properties of 2-amino-3-(4,6-dichloropyrimidin-5-yl)propan-1-ol;hydrochloride?
2-amino-3-(4,6-dichloropyrimidin-5-yl)propan-1-ol;hydrochloride has a molecular weight of 258.54 g/mol, XLogP of 1.07, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(4,6-dichloropyrimidin-5-yl)propan-1-ol;hydrochloride is sourced from PubChem (CID 170892708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).