2-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]amino]-2-(hydroxymethyl)propane-1,3-diol

C8H14ClN5O3 — CID 114009564

IUPAC2-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]amino]-2-(hydroxymethyl)propane-1,3-diol
SMILESCNc1nc(Cl)nc(NC(CO)(CO)CO)n1
InChIInChI=1S/C8H14ClN5O3/c1-10-6-11-5(9)12-7(13-6)14-8(2-15,3-16)4-17/h15-17H,2-4H2,1H3,(H2,10,11,12,13,14)
InChIKeyUVENDERCHAXRGW-UHFFFAOYSA-N
MW263.68 g/mol
LogP-1.31
Rot. Bonds6

About 2-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]amino]-2-(hydroxymethyl)propane-1,3-diol

2-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]amino]-2-(hydroxymethyl)propane-1,3-diol (PubChem CID 114009564) has the molecular formula C8H14ClN5O3 and a molecular weight of 263.68 g/mol. Its IUPAC name is 2-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]amino]-2-(hydroxymethyl)propane-1,3-diol.

Molecular Properties

Compound Name2-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]amino]-2-(hydroxymethyl)propane-1,3-diol
PubChem CID114009564
Molecular FormulaC8H14ClN5O3
Molecular Weight263.68 g/mol
Exact Mass263.08
IUPAC Name2-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]amino]-2-(hydroxymethyl)propane-1,3-diol
SMILESCNc1nc(Cl)nc(NC(CO)(CO)CO)n1
InChIInChI=1S/C8H14ClN5O3/c1-10-6-11-5(9)12-7(13-6)14-8(2-15,3-16)4-17/h15-17H,2-4H2,1H3,(H2,10,11,12,13,14)
InChIKeyUVENDERCHAXRGW-UHFFFAOYSA-N
XLogP-1.31
TPSA123.42 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.68
LogP ≤ 5-1.31
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Analyze 2-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]amino]-2-(hydroxymethyl)propane-1,3-diol with MolForge

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Related Compounds

2-ethyl-2-[[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]propane-1,3-diol
CID 107868576
2-[[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]-2-ethylpropane-1,3-diol
CID 107868608
2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]-2-ethylpropane-1,3-diol
CID 107866305
2-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropan-1-ol
CID 779516
2-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]amino]-2-ethylpentanenitrile
CID 110189425
6-chloro-2-N-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 119092780
4-tert-butylsulfanyl-6-chloro-N-methyl-1,3,5-triazin-2-amine
CID 80887039
2-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-2-ethylpropane-1,3-diol
CID 107866465
2-N,4-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine
CID 17804
6-chloro-2-N-(2-cyclopropylethyl)-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80847833
6-chloro-4-N-methyl-2-N-prop-2-enyl-1,3,5-triazine-2,4-diamine
CID 54353580
6-chloro-2-N-(3-cyclopentylpropyl)-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 106014974

Frequently Asked Questions

What is the IUPAC name of 2-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]amino]-2-(hydroxymethyl)propane-1,3-diol?
The IUPAC name of 2-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]amino]-2-(hydroxymethyl)propane-1,3-diol (CID 114009564) is 2-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]amino]-2-(hydroxymethyl)propane-1,3-diol.
What is the SMILES notation for 2-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]amino]-2-(hydroxymethyl)propane-1,3-diol?
The canonical SMILES for 2-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]amino]-2-(hydroxymethyl)propane-1,3-diol is CNc1nc(Cl)nc(NC(CO)(CO)CO)n1.
What is the InChIKey of 2-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]amino]-2-(hydroxymethyl)propane-1,3-diol?
The InChIKey is UVENDERCHAXRGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14ClN5O3/c1-10-6-11-5(9)12-7(13-6)14-8(2-15,3-16)4-17/h15-17H,2-4H2,1H3,(H2,10,11,12,13,14).
What are the key properties of 2-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]amino]-2-(hydroxymethyl)propane-1,3-diol?
2-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]amino]-2-(hydroxymethyl)propane-1,3-diol has a molecular weight of 263.68 g/mol, XLogP of -1.31, 6 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]amino]-2-(hydroxymethyl)propane-1,3-diol is sourced from PubChem (CID 114009564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).