1-[[4-(ethylamino)-6-propoxy-1,3,5-triazin-2-yl]amino]-3-methoxypropan-2-ol

C12H23N5O3 — CID 80835670

IUPAC1-[[4-(ethylamino)-6-propoxy-1,3,5-triazin-2-yl]amino]-3-methoxypropan-2-ol
SMILESCCCOc1nc(NCC)nc(NCC(O)COC)n1
InChIInChI=1S/C12H23N5O3/c1-4-6-20-12-16-10(13-5-2)15-11(17-12)14-7-9(18)8-19-3/h9,18H,4-8H2,1-3H3,(H2,13,14,15,16,17)
InChIKeyNVUYRPRCUXWPLY-UHFFFAOYSA-N
MW285.35 g/mol
LogP0.51
Rot. Bonds10

About 1-[[4-(ethylamino)-6-propoxy-1,3,5-triazin-2-yl]amino]-3-methoxypropan-2-ol

1-[[4-(ethylamino)-6-propoxy-1,3,5-triazin-2-yl]amino]-3-methoxypropan-2-ol (PubChem CID 80835670) has the molecular formula C12H23N5O3 and a molecular weight of 285.35 g/mol. Its IUPAC name is 1-[[4-(ethylamino)-6-propoxy-1,3,5-triazin-2-yl]amino]-3-methoxypropan-2-ol.

Molecular Properties

Compound Name1-[[4-(ethylamino)-6-propoxy-1,3,5-triazin-2-yl]amino]-3-methoxypropan-2-ol
PubChem CID80835670
Molecular FormulaC12H23N5O3
Molecular Weight285.35 g/mol
Exact Mass285.18
IUPAC Name1-[[4-(ethylamino)-6-propoxy-1,3,5-triazin-2-yl]amino]-3-methoxypropan-2-ol
SMILESCCCOc1nc(NCC)nc(NCC(O)COC)n1
InChIInChI=1S/C12H23N5O3/c1-4-6-20-12-16-10(13-5-2)15-11(17-12)14-7-9(18)8-19-3/h9,18H,4-8H2,1-3H3,(H2,13,14,15,16,17)
InChIKeyNVUYRPRCUXWPLY-UHFFFAOYSA-N
XLogP0.51
TPSA101.42 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 50.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 1-[[4-(ethylamino)-6-propoxy-1,3,5-triazin-2-yl]amino]-3-methoxypropan-2-ol with MolForge

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Related Compounds

1-[[4-ethoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]-3-methoxypropan-2-ol
CID 80835942
4-N-ethyl-2-N-(1-methoxy-3-methylbutan-2-yl)-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80827418
4-(2,2-difluoroethoxy)-N-ethyl-6-propoxy-1,3,5-triazin-2-amine
CID 82010193
3-[[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]amino]propane-1,2-diol
CID 80850512
5-[[4-(ethylamino)-6-propoxy-1,3,5-triazin-2-yl]amino]pentan-2-ol
CID 106138247
3-ethyl-1-[[4-(methylamino)-6-propoxy-1,3,5-triazin-2-yl]amino]pentan-2-ol
CID 106289027
1-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)amino]propan-2-ol
CID 62864552
2-[[4-(ethylamino)-6-propoxy-1,3,5-triazin-2-yl]amino]-N-propan-2-ylacetamide
CID 80775822
4-(3,3-dimethylbutoxy)-N-ethyl-6-propoxy-1,3,5-triazin-2-amine
CID 80877652
2-N-(2-ethoxy-2-methylpropyl)-4-N-ethyl-6-propoxy-1,3,5-triazine-2,4-diamine
CID 114944769
N-ethyl-4-(4-methylpentoxy)-6-propoxy-1,3,5-triazin-2-amine
CID 80861519
4-N-ethyl-2-N-(5-methylhexan-2-yl)-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80819620

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(ethylamino)-6-propoxy-1,3,5-triazin-2-yl]amino]-3-methoxypropan-2-ol?
The IUPAC name of 1-[[4-(ethylamino)-6-propoxy-1,3,5-triazin-2-yl]amino]-3-methoxypropan-2-ol (CID 80835670) is 1-[[4-(ethylamino)-6-propoxy-1,3,5-triazin-2-yl]amino]-3-methoxypropan-2-ol.
What is the SMILES notation for 1-[[4-(ethylamino)-6-propoxy-1,3,5-triazin-2-yl]amino]-3-methoxypropan-2-ol?
The canonical SMILES for 1-[[4-(ethylamino)-6-propoxy-1,3,5-triazin-2-yl]amino]-3-methoxypropan-2-ol is CCCOc1nc(NCC)nc(NCC(O)COC)n1.
What is the InChIKey of 1-[[4-(ethylamino)-6-propoxy-1,3,5-triazin-2-yl]amino]-3-methoxypropan-2-ol?
The InChIKey is NVUYRPRCUXWPLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5O3/c1-4-6-20-12-16-10(13-5-2)15-11(17-12)14-7-9(18)8-19-3/h9,18H,4-8H2,1-3H3,(H2,13,14,15,16,17).
What are the key properties of 1-[[4-(ethylamino)-6-propoxy-1,3,5-triazin-2-yl]amino]-3-methoxypropan-2-ol?
1-[[4-(ethylamino)-6-propoxy-1,3,5-triazin-2-yl]amino]-3-methoxypropan-2-ol has a molecular weight of 285.35 g/mol, XLogP of 0.51, 10 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(ethylamino)-6-propoxy-1,3,5-triazin-2-yl]amino]-3-methoxypropan-2-ol is sourced from PubChem (CID 80835670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).