[1-[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]piperidin-4-yl]methanol

C13H23N5O2 — CID 80757527

IUPAC[1-[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]piperidin-4-yl]methanol
SMILESCCCNc1nc(OC)nc(N2CCC(CO)CC2)n1
InChIInChI=1S/C13H23N5O2/c1-3-6-14-11-15-12(17-13(16-11)20-2)18-7-4-10(9-19)5-8-18/h10,19H,3-9H2,1-2H3,(H,14,15,16,17)
InChIKeyPTLYNCRQEAGZIQ-UHFFFAOYSA-N
MW281.36 g/mol
LogP0.91
Rot. Bonds6

About [1-[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]piperidin-4-yl]methanol

[1-[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]piperidin-4-yl]methanol (PubChem CID 80757527) has the molecular formula C13H23N5O2 and a molecular weight of 281.36 g/mol. Its IUPAC name is [1-[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]piperidin-4-yl]methanol
PubChem CID80757527
Molecular FormulaC13H23N5O2
Molecular Weight281.36 g/mol
Exact Mass281.19
IUPAC Name[1-[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]piperidin-4-yl]methanol
SMILESCCCNc1nc(OC)nc(N2CCC(CO)CC2)n1
InChIInChI=1S/C13H23N5O2/c1-3-6-14-11-15-12(17-13(16-11)20-2)18-7-4-10(9-19)5-8-18/h10,19H,3-9H2,1-2H3,(H,14,15,16,17)
InChIKeyPTLYNCRQEAGZIQ-UHFFFAOYSA-N
XLogP0.91
TPSA83.40 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-methoxy-6-morpholin-4-yl-N-propyl-1,3,5-triazin-2-amine
CID 80766525
N-[[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-4-yl]methyl]propan-1-amine
CID 62860368
4-ethoxy-6-(4-ethylpiperidin-1-yl)-N-propyl-1,3,5-triazin-2-amine
CID 80780550
4-(1,1-dioxo-1,4-thiazinan-4-yl)-6-methoxy-N-propyl-1,3,5-triazin-2-amine
CID 80793176
4-methoxy-6-(1-oxo-1,4-thiazinan-4-yl)-N-propyl-1,3,5-triazin-2-amine
CID 80804877
4-methoxy-6-(4-methyl-1,4-diazepan-1-yl)-N-propyl-1,3,5-triazin-2-amine
CID 80765758
[1-(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)pyrrolidin-3-yl]methanol
CID 112629745
2-[1-[4-ethoxy-6-(propylamino)-1,3,5-triazin-2-yl]pyrrolidin-3-yl]ethanol
CID 114802906
4-[4-(cyclopropylmethyl)piperazin-1-yl]-N-ethyl-6-methoxy-1,3,5-triazin-2-amine
CID 80780634
2-N-(cyclobutylmethyl)-6-methoxy-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80782877
2-[[4-methoxy-6-[4-(4-methoxyphenyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]ethanol
CID 2180929
4-(azepan-1-yl)-6-propoxy-N-propyl-1,3,5-triazin-2-amine
CID 80750532

Frequently Asked Questions

What is the IUPAC name of [1-[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]piperidin-4-yl]methanol?
The IUPAC name of [1-[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]piperidin-4-yl]methanol (CID 80757527) is [1-[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]piperidin-4-yl]methanol.
What is the SMILES notation for [1-[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]piperidin-4-yl]methanol?
The canonical SMILES for [1-[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]piperidin-4-yl]methanol is CCCNc1nc(OC)nc(N2CCC(CO)CC2)n1.
What is the InChIKey of [1-[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]piperidin-4-yl]methanol?
The InChIKey is PTLYNCRQEAGZIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O2/c1-3-6-14-11-15-12(17-13(16-11)20-2)18-7-4-10(9-19)5-8-18/h10,19H,3-9H2,1-2H3,(H,14,15,16,17).
What are the key properties of [1-[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]piperidin-4-yl]methanol?
[1-[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]piperidin-4-yl]methanol has a molecular weight of 281.36 g/mol, XLogP of 0.91, 6 rotatable bonds, 2 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]piperidin-4-yl]methanol is sourced from PubChem (CID 80757527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).