1-[[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]-4-methylpentan-2-ol

C13H25N5O2 — CID 107159645

IUPAC1-[[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]-4-methylpentan-2-ol
SMILESCCCNc1nc(NCC(O)CC(C)C)nc(OC)n1
InChIInChI=1S/C13H25N5O2/c1-5-6-14-11-16-12(18-13(17-11)20-4)15-8-10(19)7-9(2)3/h9-10,19H,5-8H2,1-4H3,(H2,14,15,16,17,18)
InChIKeyZKAXCKOBTMODBD-UHFFFAOYSA-N
MW283.38 g/mol
LogP1.52
Rot. Bonds9

About 1-[[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]-4-methylpentan-2-ol

1-[[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]-4-methylpentan-2-ol (PubChem CID 107159645) has the molecular formula C13H25N5O2 and a molecular weight of 283.38 g/mol. Its IUPAC name is 1-[[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]-4-methylpentan-2-ol.

Molecular Properties

Compound Name1-[[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]-4-methylpentan-2-ol
PubChem CID107159645
Molecular FormulaC13H25N5O2
Molecular Weight283.38 g/mol
Exact Mass283.20
IUPAC Name1-[[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]-4-methylpentan-2-ol
SMILESCCCNc1nc(NCC(O)CC(C)C)nc(OC)n1
InChIInChI=1S/C13H25N5O2/c1-5-6-14-11-16-12(18-13(17-11)20-4)15-8-10(19)7-9(2)3/h9-10,19H,5-8H2,1-4H3,(H2,14,15,16,17,18)
InChIKeyZKAXCKOBTMODBD-UHFFFAOYSA-N
XLogP1.52
TPSA92.19 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 51.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 1-[[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]-4-methylpentan-2-ol with MolForge

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Related Compounds

3-[[[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]methyl]hexan-1-ol
CID 106118553
6-methoxy-2-N-methyl-2-N-(4-methylpentan-2-yl)-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80810740
2-[[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]propan-1-ol
CID 80780126
1-[[4-ethoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]-3-methoxypropan-2-ol
CID 80835942
methyl 2-[[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]acetate
CID 80778176
4-methyl-1-[[5-methyl-2-(propylamino)pyrimidin-4-yl]amino]pentan-2-ol
CID 107159661
2-[2-[[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]ethoxy]ethanol
CID 80827068
3-methoxy-2-[[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]propan-1-ol
CID 106198781
2-[[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]ethyl carbamate
CID 83215694
1-[[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]-4,4-dimethylpentan-2-ol
CID 107159577
4-methyl-1-[[2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]amino]pentan-2-ol
CID 107159683
2-ethyl-2-[[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]propane-1,3-diol
CID 107868657

Frequently Asked Questions

What is the IUPAC name of 1-[[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]-4-methylpentan-2-ol?
The IUPAC name of 1-[[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]-4-methylpentan-2-ol (CID 107159645) is 1-[[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]-4-methylpentan-2-ol.
What is the SMILES notation for 1-[[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]-4-methylpentan-2-ol?
The canonical SMILES for 1-[[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]-4-methylpentan-2-ol is CCCNc1nc(NCC(O)CC(C)C)nc(OC)n1.
What is the InChIKey of 1-[[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]-4-methylpentan-2-ol?
The InChIKey is ZKAXCKOBTMODBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5O2/c1-5-6-14-11-16-12(18-13(17-11)20-4)15-8-10(19)7-9(2)3/h9-10,19H,5-8H2,1-4H3,(H2,14,15,16,17,18).
What are the key properties of 1-[[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]-4-methylpentan-2-ol?
1-[[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]-4-methylpentan-2-ol has a molecular weight of 283.38 g/mol, XLogP of 1.52, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]-4-methylpentan-2-ol is sourced from PubChem (CID 107159645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).