3-[(5-chloropyrimidin-4-yl)amino]-2-hydroxypropanamide

C7H9ClN4O2 — CID 106170483

IUPAC3-[(5-chloropyrimidin-4-yl)amino]-2-hydroxypropanamide
SMILESNC(=O)C(O)CNc1ncncc1Cl
InChIInChI=1S/C7H9ClN4O2/c8-4-1-10-3-12-7(4)11-2-5(13)6(9)14/h1,3,5,13H,2H2,(H2,9,14)(H,10,11,12)
InChIKeyAWECBDFYQAEQPA-UHFFFAOYSA-N
MW216.63 g/mol
LogP-0.61
Rot. Bonds4

About 3-[(5-chloropyrimidin-4-yl)amino]-2-hydroxypropanamide

3-[(5-chloropyrimidin-4-yl)amino]-2-hydroxypropanamide (PubChem CID 106170483) has the molecular formula C7H9ClN4O2 and a molecular weight of 216.63 g/mol. Its IUPAC name is 3-[(5-chloropyrimidin-4-yl)amino]-2-hydroxypropanamide.

Molecular Properties

Compound Name3-[(5-chloropyrimidin-4-yl)amino]-2-hydroxypropanamide
PubChem CID106170483
Molecular FormulaC7H9ClN4O2
Molecular Weight216.63 g/mol
Exact Mass216.04
IUPAC Name3-[(5-chloropyrimidin-4-yl)amino]-2-hydroxypropanamide
SMILESNC(=O)C(O)CNc1ncncc1Cl
InChIInChI=1S/C7H9ClN4O2/c8-4-1-10-3-12-7(4)11-2-5(13)6(9)14/h1,3,5,13H,2H2,(H2,9,14)(H,10,11,12)
InChIKeyAWECBDFYQAEQPA-UHFFFAOYSA-N
XLogP-0.61
TPSA101.13 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.63
LogP ≤ 5-0.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-N-(5-chloropyrimidin-4-yl)propane-1,2-diamine
CID 105369964
1-N-(5-chloropyrimidin-4-yl)-3-ethylpentane-1,2-diamine
CID 106286982
5-chloro-N-(2-chloro-4-methylpentyl)pyrimidin-4-amine
CID 107156317
5-chloro-N-(2,3-dimethoxypropyl)pyrimidin-4-amine
CID 102975966
3-[(5-ethyl-6-hydrazinylpyrimidin-4-yl)amino]-2-hydroxypropanamide
CID 106179504
3-[(6-chloropyrimidin-4-yl)amino]-2-hydroxypropanamide
CID 106178679
2-[(5-chloropyrimidin-4-yl)amino]-1-thiophen-3-ylethanol
CID 102975891
3-[(6-hydrazinyl-5-methoxypyrimidin-4-yl)amino]-2-hydroxypropanamide
CID 106179516
ethyl (2S,3R)-3-[(5-chloropyrimidin-4-yl)amino]-2-methylbutanoate
CID 100662469
5-amino-2-[(3-amino-2-hydroxy-3-oxopropyl)amino]pyridine-3-carboxamide
CID 106166474
3-[(6-aminoquinazolin-4-yl)amino]-2-hydroxypropanamide
CID 114152808
3-[(5-bromo-2-hydrazinylpyrimidin-4-yl)amino]-2-hydroxypropanamide
CID 106179503

Frequently Asked Questions

What is the IUPAC name of 3-[(5-chloropyrimidin-4-yl)amino]-2-hydroxypropanamide?
The IUPAC name of 3-[(5-chloropyrimidin-4-yl)amino]-2-hydroxypropanamide (CID 106170483) is 3-[(5-chloropyrimidin-4-yl)amino]-2-hydroxypropanamide.
What is the SMILES notation for 3-[(5-chloropyrimidin-4-yl)amino]-2-hydroxypropanamide?
The canonical SMILES for 3-[(5-chloropyrimidin-4-yl)amino]-2-hydroxypropanamide is NC(=O)C(O)CNc1ncncc1Cl.
What is the InChIKey of 3-[(5-chloropyrimidin-4-yl)amino]-2-hydroxypropanamide?
The InChIKey is AWECBDFYQAEQPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClN4O2/c8-4-1-10-3-12-7(4)11-2-5(13)6(9)14/h1,3,5,13H,2H2,(H2,9,14)(H,10,11,12).
What are the key properties of 3-[(5-chloropyrimidin-4-yl)amino]-2-hydroxypropanamide?
3-[(5-chloropyrimidin-4-yl)amino]-2-hydroxypropanamide has a molecular weight of 216.63 g/mol, XLogP of -0.61, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-chloropyrimidin-4-yl)amino]-2-hydroxypropanamide is sourced from PubChem (CID 106170483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).