3-amino-1-(2-chloropyrimidin-5-yl)propane-1,2-diol

C7H10ClN3O2 — CID 170827505

IUPAC3-amino-1-(2-chloropyrimidin-5-yl)propane-1,2-diol
SMILESNCC(O)C(O)c1cnc(Cl)nc1
InChIInChI=1S/C7H10ClN3O2/c8-7-10-2-4(3-11-7)6(13)5(12)1-9/h2-3,5-6,12-13H,1,9H2
InChIKeyJPIAXSJKHBIANC-UHFFFAOYSA-N
MW203.63 g/mol
LogP-0.52
Rot. Bonds3

About 3-amino-1-(2-chloropyrimidin-5-yl)propane-1,2-diol

3-amino-1-(2-chloropyrimidin-5-yl)propane-1,2-diol (PubChem CID 170827505) has the molecular formula C7H10ClN3O2 and a molecular weight of 203.63 g/mol. Its IUPAC name is 3-amino-1-(2-chloropyrimidin-5-yl)propane-1,2-diol.

Molecular Properties

Compound Name3-amino-1-(2-chloropyrimidin-5-yl)propane-1,2-diol
PubChem CID170827505
Molecular FormulaC7H10ClN3O2
Molecular Weight203.63 g/mol
Exact Mass203.05
IUPAC Name3-amino-1-(2-chloropyrimidin-5-yl)propane-1,2-diol
SMILESNCC(O)C(O)c1cnc(Cl)nc1
InChIInChI=1S/C7H10ClN3O2/c8-7-10-2-4(3-11-7)6(13)5(12)1-9/h2-3,5-6,12-13H,1,9H2
InChIKeyJPIAXSJKHBIANC-UHFFFAOYSA-N
XLogP-0.52
TPSA92.26 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.63
LogP ≤ 5-0.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-1-(6-chloro-3-pyridinyl)propane-1,2-diol
CID 170827531
4-bromo-1-(2-chloropyrimidin-5-yl)butane-1,2-diol
CID 171891448
3-amino-1-(2-chloro-4-methylpyrimidin-5-yl)propane-1,2-diol
CID 170827687
3-amino-1-(6-ethoxy-3-pyridinyl)propane-1,2-diol
CID 170828157
4-azido-1-(2-chloropyrimidin-5-yl)butane-1,2-diol
CID 171878904
3-amino-1-(1H-pyrazolo[3,4-b]pyridin-5-yl)propane-1,2-diol
CID 170828207
4-amino-1-(6-chloro-3-pyridinyl)butane-1,2-diol
CID 171880722
ethyl 3-(2-chloropyrimidin-5-yl)-2,3-dihydroxypropanoate
CID 118141576
5-(3-amino-1,2-dihydroxypropyl)-3-methylpyridine-2-carboxylic acid
CID 170828477
3-amino-1-(1H-pyrrolo[3,2-b]pyridin-6-yl)propane-1,2-diol
CID 170828191
3-amino-1-(5-chloro-2-fluoro-4-pyridinyl)propane-1,2-diol
CID 170829115
(3S)-3-amino-3-(2-chloropyrimidin-5-yl)propan-1-ol
CID 130665412

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(2-chloropyrimidin-5-yl)propane-1,2-diol?
The IUPAC name of 3-amino-1-(2-chloropyrimidin-5-yl)propane-1,2-diol (CID 170827505) is 3-amino-1-(2-chloropyrimidin-5-yl)propane-1,2-diol.
What is the SMILES notation for 3-amino-1-(2-chloropyrimidin-5-yl)propane-1,2-diol?
The canonical SMILES for 3-amino-1-(2-chloropyrimidin-5-yl)propane-1,2-diol is NCC(O)C(O)c1cnc(Cl)nc1.
What is the InChIKey of 3-amino-1-(2-chloropyrimidin-5-yl)propane-1,2-diol?
The InChIKey is JPIAXSJKHBIANC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClN3O2/c8-7-10-2-4(3-11-7)6(13)5(12)1-9/h2-3,5-6,12-13H,1,9H2.
What are the key properties of 3-amino-1-(2-chloropyrimidin-5-yl)propane-1,2-diol?
3-amino-1-(2-chloropyrimidin-5-yl)propane-1,2-diol has a molecular weight of 203.63 g/mol, XLogP of -0.52, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(2-chloropyrimidin-5-yl)propane-1,2-diol is sourced from PubChem (CID 170827505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).