3-[(2,6-dichloropyrimidin-4-yl)amino]-2-hydroxypropanamide

C7H8Cl2N4O2 — CID 130569835

IUPAC3-[(2,6-dichloropyrimidin-4-yl)amino]-2-hydroxypropanamide
SMILESNC(=O)C(O)CNc1cc(Cl)nc(Cl)n1
InChIInChI=1S/C7H8Cl2N4O2/c8-4-1-5(13-7(9)12-4)11-2-3(14)6(10)15/h1,3,14H,2H2,(H2,10,15)(H,11,12,13)
InChIKeyKGDAPWPGGCOSMM-UHFFFAOYSA-N
MW251.07 g/mol
LogP0.04
Rot. Bonds4

About 3-[(2,6-dichloropyrimidin-4-yl)amino]-2-hydroxypropanamide

3-[(2,6-dichloropyrimidin-4-yl)amino]-2-hydroxypropanamide (PubChem CID 130569835) has the molecular formula C7H8Cl2N4O2 and a molecular weight of 251.07 g/mol. Its IUPAC name is 3-[(2,6-dichloropyrimidin-4-yl)amino]-2-hydroxypropanamide.

Molecular Properties

Compound Name3-[(2,6-dichloropyrimidin-4-yl)amino]-2-hydroxypropanamide
PubChem CID130569835
Molecular FormulaC7H8Cl2N4O2
Molecular Weight251.07 g/mol
Exact Mass250.00
IUPAC Name3-[(2,6-dichloropyrimidin-4-yl)amino]-2-hydroxypropanamide
SMILESNC(=O)C(O)CNc1cc(Cl)nc(Cl)n1
InChIInChI=1S/C7H8Cl2N4O2/c8-4-1-5(13-7(9)12-4)11-2-3(14)6(10)15/h1,3,14H,2H2,(H2,10,15)(H,11,12,13)
InChIKeyKGDAPWPGGCOSMM-UHFFFAOYSA-N
XLogP0.04
TPSA101.13 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.07
LogP ≤ 50.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(6-chloropyrimidin-4-yl)amino]-2-hydroxypropanamide
CID 106178679
(2R)-1-[(2,6-dichloropyrimidin-4-yl)amino]propan-2-ol
CID 90456586
3-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-2-hydroxypropanamide
CID 106178882
3-[(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)amino]-2-hydroxypropanamide
CID 106179473
2-hydroxy-3-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]propanamide
CID 114153504
3-[[2-tert-butyl-6-(propylamino)pyrimidin-4-yl]amino]-2-hydroxypropanamide
CID 106178955
2,6-dichloro-N-(2,2-diethoxyethyl)pyrimidin-4-amine
CID 131886166
2-[(2,6-dichloropyrimidin-4-yl)amino]-N,N-dimethylacetamide
CID 130569693
2-[(2,6-dichloropyrimidin-4-yl)amino]propane-1,3-diol
CID 118686089
3-[(6-bromo-2-propylpyrimidin-4-yl)amino]-2-hydroxypropanamide
CID 106178721
3-[[6-(ethylamino)pyrimidin-4-yl]amino]-2-hydroxypropanamide
CID 106178960
2-hydroxy-3-[(2-methylpyrimidin-4-yl)amino]propanamide
CID 106170693

Frequently Asked Questions

What is the IUPAC name of 3-[(2,6-dichloropyrimidin-4-yl)amino]-2-hydroxypropanamide?
The IUPAC name of 3-[(2,6-dichloropyrimidin-4-yl)amino]-2-hydroxypropanamide (CID 130569835) is 3-[(2,6-dichloropyrimidin-4-yl)amino]-2-hydroxypropanamide.
What is the SMILES notation for 3-[(2,6-dichloropyrimidin-4-yl)amino]-2-hydroxypropanamide?
The canonical SMILES for 3-[(2,6-dichloropyrimidin-4-yl)amino]-2-hydroxypropanamide is NC(=O)C(O)CNc1cc(Cl)nc(Cl)n1.
What is the InChIKey of 3-[(2,6-dichloropyrimidin-4-yl)amino]-2-hydroxypropanamide?
The InChIKey is KGDAPWPGGCOSMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8Cl2N4O2/c8-4-1-5(13-7(9)12-4)11-2-3(14)6(10)15/h1,3,14H,2H2,(H2,10,15)(H,11,12,13).
What are the key properties of 3-[(2,6-dichloropyrimidin-4-yl)amino]-2-hydroxypropanamide?
3-[(2,6-dichloropyrimidin-4-yl)amino]-2-hydroxypropanamide has a molecular weight of 251.07 g/mol, XLogP of 0.04, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,6-dichloropyrimidin-4-yl)amino]-2-hydroxypropanamide is sourced from PubChem (CID 130569835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).