3-amino-1-(2-chloro-4-methylpyrimidin-5-yl)propane-1,2-diol

C8H12ClN3O2 — CID 170827687

IUPAC3-amino-1-(2-chloro-4-methylpyrimidin-5-yl)propane-1,2-diol
SMILESCc1nc(Cl)ncc1C(O)C(O)CN
InChIInChI=1S/C8H12ClN3O2/c1-4-5(3-11-8(9)12-4)7(14)6(13)2-10/h3,6-7,13-14H,2,10H2,1H3
InChIKeyFOUNTYGIGGOEIP-UHFFFAOYSA-N
MW217.66 g/mol
LogP-0.21
Rot. Bonds3

About 3-amino-1-(2-chloro-4-methylpyrimidin-5-yl)propane-1,2-diol

3-amino-1-(2-chloro-4-methylpyrimidin-5-yl)propane-1,2-diol (PubChem CID 170827687) has the molecular formula C8H12ClN3O2 and a molecular weight of 217.66 g/mol. Its IUPAC name is 3-amino-1-(2-chloro-4-methylpyrimidin-5-yl)propane-1,2-diol.

Molecular Properties

Compound Name3-amino-1-(2-chloro-4-methylpyrimidin-5-yl)propane-1,2-diol
PubChem CID170827687
Molecular FormulaC8H12ClN3O2
Molecular Weight217.66 g/mol
Exact Mass217.06
IUPAC Name3-amino-1-(2-chloro-4-methylpyrimidin-5-yl)propane-1,2-diol
SMILESCc1nc(Cl)ncc1C(O)C(O)CN
InChIInChI=1S/C8H12ClN3O2/c1-4-5(3-11-8(9)12-4)7(14)6(13)2-10/h3,6-7,13-14H,2,10H2,1H3
InChIKeyFOUNTYGIGGOEIP-UHFFFAOYSA-N
XLogP-0.21
TPSA92.26 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.66
LogP ≤ 5-0.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-1-(2-chloropyrimidin-5-yl)propane-1,2-diol
CID 170827505
1-(2-amino-4-methylpyrimidin-5-yl)propane-1,2,3-triol
CID 170817665
4-amino-1-(2-amino-4-methylpyrimidin-5-yl)butane-1,2-diol
CID 171881061
9H-fluoren-9-ylmethyl N-[3-(2-chloro-4-methylpyrimidin-5-yl)-2,3-dihydroxypropyl]carbamate
CID 170833811
3-amino-1-(6-chloro-4-methyl-5-nitro-3-pyridinyl)propane-1,2-diol
CID 170828651
3-amino-1-(5-chloro-2-fluoro-4-pyridinyl)propane-1,2-diol
CID 170829115
3-amino-1-(2-amino-4-methylphenyl)propane-1,2-diol
CID 170827782
3-amino-1-(6-chloro-3-pyridinyl)propane-1,2-diol
CID 170827531
3-amino-1-(5-methyl-1H-imidazol-4-yl)propane-1,2-diol
CID 170827482
3-amino-1-(2-hydroxy-4-methylphenyl)propane-1,2-diol
CID 170827678
3-amino-1-(3-amino-4-pyridinyl)propane-1,2-diol
CID 170827517
3-amino-1-(2,4-dimethyl-1,3-thiazol-5-yl)propane-1,2-diol
CID 170827544

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(2-chloro-4-methylpyrimidin-5-yl)propane-1,2-diol?
The IUPAC name of 3-amino-1-(2-chloro-4-methylpyrimidin-5-yl)propane-1,2-diol (CID 170827687) is 3-amino-1-(2-chloro-4-methylpyrimidin-5-yl)propane-1,2-diol.
What is the SMILES notation for 3-amino-1-(2-chloro-4-methylpyrimidin-5-yl)propane-1,2-diol?
The canonical SMILES for 3-amino-1-(2-chloro-4-methylpyrimidin-5-yl)propane-1,2-diol is Cc1nc(Cl)ncc1C(O)C(O)CN.
What is the InChIKey of 3-amino-1-(2-chloro-4-methylpyrimidin-5-yl)propane-1,2-diol?
The InChIKey is FOUNTYGIGGOEIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClN3O2/c1-4-5(3-11-8(9)12-4)7(14)6(13)2-10/h3,6-7,13-14H,2,10H2,1H3.
What are the key properties of 3-amino-1-(2-chloro-4-methylpyrimidin-5-yl)propane-1,2-diol?
3-amino-1-(2-chloro-4-methylpyrimidin-5-yl)propane-1,2-diol has a molecular weight of 217.66 g/mol, XLogP of -0.21, 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-chloro-4-methylpyrimidin-5-yl)propane-1,2-diol is sourced from PubChem (CID 170827687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).