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

C7H11Cl3N4O — CID 170892753

IUPAC2-amino-3-(2-amino-4,6-dichloropyrimidin-5-yl)propan-1-ol;hydrochloride
SMILESCl.Nc1nc(Cl)c(CC(N)CO)c(Cl)n1
InChIInChI=1S/C7H10Cl2N4O.ClH/c8-5-4(1-3(10)2-14)6(9)13-7(11)12-5;/h3,14H,1-2,10H2,(H2,11,12,13);1H
InChIKeyXPPZXDJBZCHVTI-UHFFFAOYSA-N
MW273.55 g/mol
LogP0.65
Rot. Bonds3

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

2-amino-3-(2-amino-4,6-dichloropyrimidin-5-yl)propan-1-ol;hydrochloride (PubChem CID 170892753) has the molecular formula C7H11Cl3N4O and a molecular weight of 273.55 g/mol. Its IUPAC name is 2-amino-3-(2-amino-4,6-dichloropyrimidin-5-yl)propan-1-ol;hydrochloride.

Molecular Properties

Compound Name2-amino-3-(2-amino-4,6-dichloropyrimidin-5-yl)propan-1-ol;hydrochloride
PubChem CID170892753
Molecular FormulaC7H11Cl3N4O
Molecular Weight273.55 g/mol
Exact Mass272.00
IUPAC Name2-amino-3-(2-amino-4,6-dichloropyrimidin-5-yl)propan-1-ol;hydrochloride
SMILESCl.Nc1nc(Cl)c(CC(N)CO)c(Cl)n1
InChIInChI=1S/C7H10Cl2N4O.ClH/c8-5-4(1-3(10)2-14)6(9)13-7(11)12-5;/h3,14H,1-2,10H2,(H2,11,12,13);1H
InChIKeyXPPZXDJBZCHVTI-UHFFFAOYSA-N
XLogP0.65
TPSA98.05 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.55
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-3-(2-amino-4,6-dichloropyrimidin-5-yl)propan-1-ol
CID 130854232
2-amino-3-(4,6-dichloropyrimidin-5-yl)propan-1-ol;hydrochloride
CID 170892708
2-amino-3-(2-chloro-3,6-difluorophenyl)propan-1-ol
CID 131211507
2-amino-3-(2,6-dichlorophenyl)propan-1-ol
CID 18387991
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-(2-amino-3-hydroxypropyl)chromen-4-one
CID 170893258
2-amino-3-(2,4-diaminopyrimidin-5-yl)propan-1-ol
CID 131098978
2-amino-3-anthracen-9-ylpropan-1-ol;hydrochloride
CID 170891747
2-amino-3-(3,5-dimethyl-1,2-oxazol-4-yl)propan-1-ol;hydrochloride
CID 170892789
2-amino-3-(2,4,6-trimethylphenyl)propan-1-ol;hydrochloride
CID 170891844
2-amino-3-(6-chloro-3-pyridinyl)propan-1-ol;hydrochloride
CID 170892799

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(2-amino-4,6-dichloropyrimidin-5-yl)propan-1-ol;hydrochloride?
The IUPAC name of 2-amino-3-(2-amino-4,6-dichloropyrimidin-5-yl)propan-1-ol;hydrochloride (CID 170892753) is 2-amino-3-(2-amino-4,6-dichloropyrimidin-5-yl)propan-1-ol;hydrochloride.
What is the SMILES notation for 2-amino-3-(2-amino-4,6-dichloropyrimidin-5-yl)propan-1-ol;hydrochloride?
The canonical SMILES for 2-amino-3-(2-amino-4,6-dichloropyrimidin-5-yl)propan-1-ol;hydrochloride is Cl.Nc1nc(Cl)c(CC(N)CO)c(Cl)n1.
What is the InChIKey of 2-amino-3-(2-amino-4,6-dichloropyrimidin-5-yl)propan-1-ol;hydrochloride?
The InChIKey is XPPZXDJBZCHVTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10Cl2N4O.ClH/c8-5-4(1-3(10)2-14)6(9)13-7(11)12-5;/h3,14H,1-2,10H2,(H2,11,12,13);1H.
What are the key properties of 2-amino-3-(2-amino-4,6-dichloropyrimidin-5-yl)propan-1-ol;hydrochloride?
2-amino-3-(2-amino-4,6-dichloropyrimidin-5-yl)propan-1-ol;hydrochloride has a molecular weight of 273.55 g/mol, XLogP of 0.65, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(2-amino-4,6-dichloropyrimidin-5-yl)propan-1-ol;hydrochloride is sourced from PubChem (CID 170892753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).