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

C7H9ClN4O2 — CID 106178679

IUPAC3-[(6-chloropyrimidin-4-yl)amino]-2-hydroxypropanamide
SMILESNC(=O)C(O)CNc1cc(Cl)ncn1
InChIInChI=1S/C7H9ClN4O2/c8-5-1-6(12-3-11-5)10-2-4(13)7(9)14/h1,3-4,13H,2H2,(H2,9,14)(H,10,11,12)
InChIKeyPYKDPVFFYPASDM-UHFFFAOYSA-N
MW216.63 g/mol
LogP-0.61
Rot. Bonds4

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

3-[(6-chloropyrimidin-4-yl)amino]-2-hydroxypropanamide (PubChem CID 106178679) has the molecular formula C7H9ClN4O2 and a molecular weight of 216.63 g/mol. Its IUPAC name is 3-[(6-chloropyrimidin-4-yl)amino]-2-hydroxypropanamide.

Molecular Properties

Compound Name3-[(6-chloropyrimidin-4-yl)amino]-2-hydroxypropanamide
PubChem CID106178679
Molecular FormulaC7H9ClN4O2
Molecular Weight216.63 g/mol
Exact Mass216.04
IUPAC Name3-[(6-chloropyrimidin-4-yl)amino]-2-hydroxypropanamide
SMILESNC(=O)C(O)CNc1cc(Cl)ncn1
InChIInChI=1S/C7H9ClN4O2/c8-5-1-6(12-3-11-5)10-2-4(13)7(9)14/h1,3-4,13H,2H2,(H2,9,14)(H,10,11,12)
InChIKeyPYKDPVFFYPASDM-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

3-[[6-(ethylamino)pyrimidin-4-yl]amino]-2-hydroxypropanamide
CID 106178960
3-[(6-chloropyrimidin-4-yl)amino]propane-1,2-diol
CID 66169551
3-[(2,6-dichloropyrimidin-4-yl)amino]-2-hydroxypropanamide
CID 130569835
5-[(6-chloropyrimidin-4-yl)amino]pentanamide
CID 106239916
2-[(6-chloropyrimidin-4-yl)amino]acetic acid;hydrochloride
CID 134263966
3-[[(6-chloropyrimidin-4-yl)amino]methyl]hexan-1-ol
CID 106116854
6-chloro-N-(2-methylbutyl)pyrimidin-4-amine
CID 62693783
2-[(6-chloropyrimidin-4-yl)amino]-1-(4-fluorophenyl)ethanol
CID 76641108
2-[2-[(6-chloropyrimidin-4-yl)amino]ethoxy]acetamide
CID 106240051
3-[(5-chloropyrimidin-4-yl)amino]-2-hydroxypropanamide
CID 106170483
3-[(5-cyano-2-pyridinyl)amino]-2-hydroxypropanamide
CID 107257703
2-hydroxy-3-[(2-methylpyrimidin-4-yl)amino]propanamide
CID 106170693

Frequently Asked Questions

What is the IUPAC name of 3-[(6-chloropyrimidin-4-yl)amino]-2-hydroxypropanamide?
The IUPAC name of 3-[(6-chloropyrimidin-4-yl)amino]-2-hydroxypropanamide (CID 106178679) is 3-[(6-chloropyrimidin-4-yl)amino]-2-hydroxypropanamide.
What is the SMILES notation for 3-[(6-chloropyrimidin-4-yl)amino]-2-hydroxypropanamide?
The canonical SMILES for 3-[(6-chloropyrimidin-4-yl)amino]-2-hydroxypropanamide is NC(=O)C(O)CNc1cc(Cl)ncn1.
What is the InChIKey of 3-[(6-chloropyrimidin-4-yl)amino]-2-hydroxypropanamide?
The InChIKey is PYKDPVFFYPASDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClN4O2/c8-5-1-6(12-3-11-5)10-2-4(13)7(9)14/h1,3-4,13H,2H2,(H2,9,14)(H,10,11,12).
What are the key properties of 3-[(6-chloropyrimidin-4-yl)amino]-2-hydroxypropanamide?
3-[(6-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-[(6-chloropyrimidin-4-yl)amino]-2-hydroxypropanamide is sourced from PubChem (CID 106178679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).