3-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-2-hydroxypropanamide

C6H9ClN6O2 — CID 106178882

IUPAC3-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-2-hydroxypropanamide
SMILESNC(=O)C(O)CNc1nc(N)nc(Cl)n1
InChIInChI=1S/C6H9ClN6O2/c7-4-11-5(9)13-6(12-4)10-1-2(14)3(8)15/h2,14H,1H2,(H2,8,15)(H3,9,10,11,12,13)
InChIKeySIEJQDZFNKQAEI-UHFFFAOYSA-N
MW232.63 g/mol
LogP-1.63
Rot. Bonds4

About 3-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-2-hydroxypropanamide

3-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-2-hydroxypropanamide (PubChem CID 106178882) has the molecular formula C6H9ClN6O2 and a molecular weight of 232.63 g/mol. Its IUPAC name is 3-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-2-hydroxypropanamide.

Molecular Properties

Compound Name3-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-2-hydroxypropanamide
PubChem CID106178882
Molecular FormulaC6H9ClN6O2
Molecular Weight232.63 g/mol
Exact Mass232.05
IUPAC Name3-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-2-hydroxypropanamide
SMILESNC(=O)C(O)CNc1nc(N)nc(Cl)n1
InChIInChI=1S/C6H9ClN6O2/c7-4-11-5(9)13-6(12-4)10-1-2(14)3(8)15/h2,14H,1H2,(H2,8,15)(H3,9,10,11,12,13)
InChIKeySIEJQDZFNKQAEI-UHFFFAOYSA-N
XLogP-1.63
TPSA140.04 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.63
LogP ≤ 5-1.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

3-[(4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-2-hydroxypropanamide
CID 106178654
6-chloro-2-N-(2,2-dimethoxyethyl)-1,3,5-triazine-2,4-diamine
CID 122714726
3-[(2,6-dichloropyrimidin-4-yl)amino]-2-hydroxypropanamide
CID 130569835
6-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]hexan-1-ol
CID 107855348
3-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-3-methylbutanamide
CID 106098676
2-hydroxy-3-[[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]propanamide
CID 114154537
2-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-N-cyclopropylacetamide
CID 80792553
4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-3,3-dimethylbutan-1-ol
CID 106149742
3-[[4-(ethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]-2-hydroxypropanamide
CID 106179049
4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-1-methoxybutan-2-ol
CID 106248647
6-chloro-2-N-prop-2-ynyl-1,3,5-triazine-2,4-diamine
CID 118444193
2-[1-[[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]methyl]cyclopropyl]ethanol
CID 114759634

Frequently Asked Questions

What is the IUPAC name of 3-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-2-hydroxypropanamide?
The IUPAC name of 3-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-2-hydroxypropanamide (CID 106178882) is 3-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-2-hydroxypropanamide.
What is the SMILES notation for 3-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-2-hydroxypropanamide?
The canonical SMILES for 3-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-2-hydroxypropanamide is NC(=O)C(O)CNc1nc(N)nc(Cl)n1.
What is the InChIKey of 3-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-2-hydroxypropanamide?
The InChIKey is SIEJQDZFNKQAEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9ClN6O2/c7-4-11-5(9)13-6(12-4)10-1-2(14)3(8)15/h2,14H,1H2,(H2,8,15)(H3,9,10,11,12,13).
What are the key properties of 3-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-2-hydroxypropanamide?
3-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-2-hydroxypropanamide has a molecular weight of 232.63 g/mol, XLogP of -1.63, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-2-hydroxypropanamide is sourced from PubChem (CID 106178882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).