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

C10H19N5O3 — CID 80843434

IUPAC2-[[4-(methylamino)-6-propoxy-1,3,5-triazin-2-yl]amino]propane-1,3-diol
SMILESCCCOc1nc(NC)nc(NC(CO)CO)n1
InChIInChI=1S/C10H19N5O3/c1-3-4-18-10-14-8(11-2)13-9(15-10)12-7(5-16)6-17/h7,16-17H,3-6H2,1-2H3,(H2,11,12,13,14,15)
InChIKeyCYQFRGBCMYKRJQ-UHFFFAOYSA-N
MW257.29 g/mol
LogP-0.53
Rot. Bonds8

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

2-[[4-(methylamino)-6-propoxy-1,3,5-triazin-2-yl]amino]propane-1,3-diol (PubChem CID 80843434) has the molecular formula C10H19N5O3 and a molecular weight of 257.29 g/mol. Its IUPAC name is 2-[[4-(methylamino)-6-propoxy-1,3,5-triazin-2-yl]amino]propane-1,3-diol.

Molecular Properties

Compound Name2-[[4-(methylamino)-6-propoxy-1,3,5-triazin-2-yl]amino]propane-1,3-diol
PubChem CID80843434
Molecular FormulaC10H19N5O3
Molecular Weight257.29 g/mol
Exact Mass257.15
IUPAC Name2-[[4-(methylamino)-6-propoxy-1,3,5-triazin-2-yl]amino]propane-1,3-diol
SMILESCCCOc1nc(NC)nc(NC(CO)CO)n1
InChIInChI=1S/C10H19N5O3/c1-3-4-18-10-14-8(11-2)13-9(15-10)12-7(5-16)6-17/h7,16-17H,3-6H2,1-2H3,(H2,11,12,13,14,15)
InChIKeyCYQFRGBCMYKRJQ-UHFFFAOYSA-N
XLogP-0.53
TPSA112.42 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 5-0.53
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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

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Related Compounds

2-[(4-amino-6-propoxy-1,3,5-triazin-2-yl)amino]propane-1,3-diol
CID 80842284
2-N-hexan-3-yl-4-N-methyl-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80818293
2-N-(1-methoxybutan-2-yl)-4-N-methyl-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80837026
2-N-butan-2-yl-4-N-methyl-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80765920
2-N-[1-(dimethylamino)-3-methylbutan-2-yl]-4-N-methyl-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80783446
6-[[4-(methylamino)-6-propoxy-1,3,5-triazin-2-yl]amino]hexan-1-ol
CID 107855305
N-methyl-4-pentoxy-6-propoxy-1,3,5-triazin-2-amine
CID 80865211
2-[[4,6-bis(1,3-dihydroxypropan-2-ylamino)-1,3,5-triazin-2-yl]amino]propane-1,3-diol
CID 90392504
3-ethyl-1-[[4-(methylamino)-6-propoxy-1,3,5-triazin-2-yl]amino]pentan-2-ol
CID 106289027
2-N-pentan-3-yl-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80769885
4-N-methyl-2-N-(2-methylbutan-2-yl)-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80767949
(2S)-2-[(4-amino-6-propoxy-1,3,5-triazin-2-yl)amino]-3-methylbutan-1-ol
CID 80849068

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(methylamino)-6-propoxy-1,3,5-triazin-2-yl]amino]propane-1,3-diol?
The IUPAC name of 2-[[4-(methylamino)-6-propoxy-1,3,5-triazin-2-yl]amino]propane-1,3-diol (CID 80843434) is 2-[[4-(methylamino)-6-propoxy-1,3,5-triazin-2-yl]amino]propane-1,3-diol.
What is the SMILES notation for 2-[[4-(methylamino)-6-propoxy-1,3,5-triazin-2-yl]amino]propane-1,3-diol?
The canonical SMILES for 2-[[4-(methylamino)-6-propoxy-1,3,5-triazin-2-yl]amino]propane-1,3-diol is CCCOc1nc(NC)nc(NC(CO)CO)n1.
What is the InChIKey of 2-[[4-(methylamino)-6-propoxy-1,3,5-triazin-2-yl]amino]propane-1,3-diol?
The InChIKey is CYQFRGBCMYKRJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5O3/c1-3-4-18-10-14-8(11-2)13-9(15-10)12-7(5-16)6-17/h7,16-17H,3-6H2,1-2H3,(H2,11,12,13,14,15).
What are the key properties of 2-[[4-(methylamino)-6-propoxy-1,3,5-triazin-2-yl]amino]propane-1,3-diol?
2-[[4-(methylamino)-6-propoxy-1,3,5-triazin-2-yl]amino]propane-1,3-diol has a molecular weight of 257.29 g/mol, XLogP of -0.53, 8 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(methylamino)-6-propoxy-1,3,5-triazin-2-yl]amino]propane-1,3-diol is sourced from PubChem (CID 80843434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).