1-[4-propan-2-yloxy-6-(propylamino)-1,3,5-triazin-2-yl]piperidin-3-ol

C14H25N5O2 — CID 80771712

IUPAC1-[4-propan-2-yloxy-6-(propylamino)-1,3,5-triazin-2-yl]piperidin-3-ol
SMILESCCCNc1nc(OC(C)C)nc(N2CCCC(O)C2)n1
InChIInChI=1S/C14H25N5O2/c1-4-7-15-12-16-13(18-14(17-12)21-10(2)3)19-8-5-6-11(20)9-19/h10-11,20H,4-9H2,1-3H3,(H,15,16,17,18)
InChIKeyCLOKSZMQNKUOLW-UHFFFAOYSA-N
MW295.39 g/mol
LogP1.44
Rot. Bonds6

About 1-[4-propan-2-yloxy-6-(propylamino)-1,3,5-triazin-2-yl]piperidin-3-ol

1-[4-propan-2-yloxy-6-(propylamino)-1,3,5-triazin-2-yl]piperidin-3-ol (PubChem CID 80771712) has the molecular formula C14H25N5O2 and a molecular weight of 295.39 g/mol. Its IUPAC name is 1-[4-propan-2-yloxy-6-(propylamino)-1,3,5-triazin-2-yl]piperidin-3-ol.

Molecular Properties

Compound Name1-[4-propan-2-yloxy-6-(propylamino)-1,3,5-triazin-2-yl]piperidin-3-ol
PubChem CID80771712
Molecular FormulaC14H25N5O2
Molecular Weight295.39 g/mol
Exact Mass295.20
IUPAC Name1-[4-propan-2-yloxy-6-(propylamino)-1,3,5-triazin-2-yl]piperidin-3-ol
SMILESCCCNc1nc(OC(C)C)nc(N2CCCC(O)C2)n1
InChIInChI=1S/C14H25N5O2/c1-4-7-15-12-16-13(18-14(17-12)21-10(2)3)19-8-5-6-11(20)9-19/h10-11,20H,4-9H2,1-3H3,(H,15,16,17,18)
InChIKeyCLOKSZMQNKUOLW-UHFFFAOYSA-N
XLogP1.44
TPSA83.40 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-ethyl-4-(2-methylpyrrolidin-1-yl)-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 80790959
[1-[4-(ethylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]pyrrolidin-2-yl]methanol
CID 80794942
4-(azepan-1-yl)-6-propoxy-N-propyl-1,3,5-triazin-2-amine
CID 80750532
4-(2,6-dimethylmorpholin-4-yl)-N-ethyl-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 80749448
[1-[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]piperidin-4-yl]methanol
CID 80757527
2-[1-[4-ethoxy-6-(propylamino)-1,3,5-triazin-2-yl]pyrrolidin-3-yl]ethanol
CID 114802906
2-N-(3-methylbutan-2-yl)-6-propan-2-yloxy-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80753941
2-[1-[4-(methylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]pyrrolidin-3-yl]ethanol
CID 114802852
2-N-pentan-2-yl-4-N-propyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80751148
4-methoxy-6-(4-methyl-1,4-diazepan-1-yl)-N-propyl-1,3,5-triazin-2-amine
CID 80765758
4-ethoxy-6-(4-ethylpiperidin-1-yl)-N-propyl-1,3,5-triazin-2-amine
CID 80780550
2-N-cyclopropyl-4-N-propyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80770624

Frequently Asked Questions

What is the IUPAC name of 1-[4-propan-2-yloxy-6-(propylamino)-1,3,5-triazin-2-yl]piperidin-3-ol?
The IUPAC name of 1-[4-propan-2-yloxy-6-(propylamino)-1,3,5-triazin-2-yl]piperidin-3-ol (CID 80771712) is 1-[4-propan-2-yloxy-6-(propylamino)-1,3,5-triazin-2-yl]piperidin-3-ol.
What is the SMILES notation for 1-[4-propan-2-yloxy-6-(propylamino)-1,3,5-triazin-2-yl]piperidin-3-ol?
The canonical SMILES for 1-[4-propan-2-yloxy-6-(propylamino)-1,3,5-triazin-2-yl]piperidin-3-ol is CCCNc1nc(OC(C)C)nc(N2CCCC(O)C2)n1.
What is the InChIKey of 1-[4-propan-2-yloxy-6-(propylamino)-1,3,5-triazin-2-yl]piperidin-3-ol?
The InChIKey is CLOKSZMQNKUOLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O2/c1-4-7-15-12-16-13(18-14(17-12)21-10(2)3)19-8-5-6-11(20)9-19/h10-11,20H,4-9H2,1-3H3,(H,15,16,17,18).
What are the key properties of 1-[4-propan-2-yloxy-6-(propylamino)-1,3,5-triazin-2-yl]piperidin-3-ol?
1-[4-propan-2-yloxy-6-(propylamino)-1,3,5-triazin-2-yl]piperidin-3-ol has a molecular weight of 295.39 g/mol, XLogP of 1.44, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-propan-2-yloxy-6-(propylamino)-1,3,5-triazin-2-yl]piperidin-3-ol is sourced from PubChem (CID 80771712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).