6-[4-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyrimidin-4-amine

C17H26N8O — CID 70748985

IUPAC6-[4-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyrimidin-4-amine
SMILESCn1c(CN2CCOCC2)nnc1C1CCN(c2cc(N)ncn2)CC1
InChIInChI=1S/C17H26N8O/c1-23-16(11-24-6-8-26-9-7-24)21-22-17(23)13-2-4-25(5-3-13)15-10-14(18)19-12-20-15/h10,12-13H,2-9,11H2,1H3,(H2,18,19,20)
InChIKeySULHDCNXXDIQAG-UHFFFAOYSA-N
MW358.45 g/mol
LogP0.40
Rot. Bonds4

About 6-[4-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyrimidin-4-amine

6-[4-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyrimidin-4-amine (PubChem CID 70748985) has the molecular formula C17H26N8O and a molecular weight of 358.45 g/mol. Its IUPAC name is 6-[4-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-[4-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyrimidin-4-amine
PubChem CID70748985
Molecular FormulaC17H26N8O
Molecular Weight358.45 g/mol
Exact Mass358.22
IUPAC Name6-[4-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyrimidin-4-amine
SMILESCn1c(CN2CCOCC2)nnc1C1CCN(c2cc(N)ncn2)CC1
InChIInChI=1S/C17H26N8O/c1-23-16(11-24-6-8-26-9-7-24)21-22-17(23)13-2-4-25(5-3-13)15-10-14(18)19-12-20-15/h10,12-13H,2-9,11H2,1H3,(H2,18,19,20)
InChIKeySULHDCNXXDIQAG-UHFFFAOYSA-N
XLogP0.40
TPSA98.22 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 6-[4-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyrimidin-4-amine with MolForge

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Related Compounds

6-[(3R)-3-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyrimidin-4-amine
CID 95867996
4-[[4-methyl-5-(1-pyrimidin-2-ylpiperidin-4-yl)-1,2,4-triazol-3-yl]methyl]morpholine
CID 70712761
6-[4-[4-cyclopropyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyrimidin-4-amine
CID 70775845
4-[[4-methyl-5-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]-1,2,4-triazol-3-yl]methyl]morpholine
CID 70776646
4-[[5-[1-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidin-4-yl]-4-methyl-1,2,4-triazol-3-yl]methyl]morpholine
CID 70777766
2-[4-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine-4-carboxamide
CID 72853068
cyclopropyl-[4-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methanone
CID 70766585
4-[[5-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-4-methyl-1,2,4-triazol-3-yl]methyl]morpholine
CID 72911931
[4-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-(4-methylphenyl)methanone
CID 72908429
3-methyl-6-[4-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyridazine
CID 70767796
4-[[4-methyl-5-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]-1,2,4-triazol-3-yl]methyl]morpholine
CID 70777110
4-[[5-[(3R)-1-ethylpiperidin-3-yl]-4-methyl-1,2,4-triazol-3-yl]methyl]morpholine
CID 95873162

Frequently Asked Questions

What is the IUPAC name of 6-[4-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyrimidin-4-amine?
The IUPAC name of 6-[4-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyrimidin-4-amine (CID 70748985) is 6-[4-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyrimidin-4-amine.
What is the SMILES notation for 6-[4-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyrimidin-4-amine?
The canonical SMILES for 6-[4-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyrimidin-4-amine is Cn1c(CN2CCOCC2)nnc1C1CCN(c2cc(N)ncn2)CC1.
What is the InChIKey of 6-[4-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyrimidin-4-amine?
The InChIKey is SULHDCNXXDIQAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N8O/c1-23-16(11-24-6-8-26-9-7-24)21-22-17(23)13-2-4-25(5-3-13)15-10-14(18)19-12-20-15/h10,12-13H,2-9,11H2,1H3,(H2,18,19,20).
What are the key properties of 6-[4-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyrimidin-4-amine?
6-[4-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyrimidin-4-amine has a molecular weight of 358.45 g/mol, XLogP of 0.40, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyrimidin-4-amine is sourced from PubChem (CID 70748985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).