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

C7H10Cl2N4O — CID 130854232

IUPAC2-amino-3-(2-amino-4,6-dichloropyrimidin-5-yl)propan-1-ol
SMILESNc1nc(Cl)c(CC(N)CO)c(Cl)n1
InChIInChI=1S/C7H10Cl2N4O/c8-5-4(1-3(10)2-14)6(9)13-7(11)12-5/h3,14H,1-2,10H2,(H2,11,12,13)
InChIKeySSPBPELKEZFOGW-UHFFFAOYSA-N
MW237.09 g/mol
LogP0.23
Rot. Bonds3

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

2-amino-3-(2-amino-4,6-dichloropyrimidin-5-yl)propan-1-ol (PubChem CID 130854232) has the molecular formula C7H10Cl2N4O and a molecular weight of 237.09 g/mol. Its IUPAC name is 2-amino-3-(2-amino-4,6-dichloropyrimidin-5-yl)propan-1-ol.

Molecular Properties

Compound Name2-amino-3-(2-amino-4,6-dichloropyrimidin-5-yl)propan-1-ol
PubChem CID130854232
Molecular FormulaC7H10Cl2N4O
Molecular Weight237.09 g/mol
Exact Mass236.02
IUPAC Name2-amino-3-(2-amino-4,6-dichloropyrimidin-5-yl)propan-1-ol
SMILESNc1nc(Cl)c(CC(N)CO)c(Cl)n1
InChIInChI=1S/C7H10Cl2N4O/c8-5-4(1-3(10)2-14)6(9)13-7(11)12-5/h3,14H,1-2,10H2,(H2,11,12,13)
InChIKeySSPBPELKEZFOGW-UHFFFAOYSA-N
XLogP0.23
TPSA98.05 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.09
LogP ≤ 50.23
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;hydrochloride
CID 170892753
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-amino-3-hydroxypropyl)chromen-4-one
CID 170893258
2-amino-3-(2,4-diaminopyrimidin-5-yl)propan-1-ol
CID 131098978
(2S)-2-amino-3-(2-chloro-6-fluorophenyl)propan-1-ol
CID 28804612
2-amino-3-(2-chloroquinolin-3-yl)propan-1-ol;hydrochloride
CID 170893249
2-amino-3-[6-(4-chlorophenyl)-2-pyridinyl]propan-1-ol
CID 170893413
2-amino-3-(2,4-dichlorophenyl)propan-1-ol
CID 22285002
4,6-dichloro-5-(2,2-difluoropropyl)pyrimidin-2-amine
CID 164908197

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(2-amino-4,6-dichloropyrimidin-5-yl)propan-1-ol?
The IUPAC name of 2-amino-3-(2-amino-4,6-dichloropyrimidin-5-yl)propan-1-ol (CID 130854232) is 2-amino-3-(2-amino-4,6-dichloropyrimidin-5-yl)propan-1-ol.
What is the SMILES notation for 2-amino-3-(2-amino-4,6-dichloropyrimidin-5-yl)propan-1-ol?
The canonical SMILES for 2-amino-3-(2-amino-4,6-dichloropyrimidin-5-yl)propan-1-ol is 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?
The InChIKey is SSPBPELKEZFOGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10Cl2N4O/c8-5-4(1-3(10)2-14)6(9)13-7(11)12-5/h3,14H,1-2,10H2,(H2,11,12,13).
What are the key properties of 2-amino-3-(2-amino-4,6-dichloropyrimidin-5-yl)propan-1-ol?
2-amino-3-(2-amino-4,6-dichloropyrimidin-5-yl)propan-1-ol has a molecular weight of 237.09 g/mol, XLogP of 0.23, 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 is sourced from PubChem (CID 130854232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).