6-[[(2R)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione

C17H26N6O2 — CID 95307044

IUPAC6-[[(2R)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCc1nc(C)n(C[C@H]2CCCCN2Cc2cc(=O)n(C)c(=O)n2C)n1
InChIInChI=1S/C17H26N6O2/c1-12-18-13(2)23(19-12)11-14-7-5-6-8-22(14)10-15-9-16(24)21(4)17(25)20(15)3/h9,14H,5-8,10-11H2,1-4H3/t14-/m1/s1
InChIKeyNXRFLQIUDWPMEE-CQSZACIVSA-N
MW346.44 g/mol
LogP0.35
Rot. Bonds4

About 6-[[(2R)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione

6-[[(2R)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 95307044) has the molecular formula C17H26N6O2 and a molecular weight of 346.44 g/mol. Its IUPAC name is 6-[[(2R)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[[(2R)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione
PubChem CID95307044
Molecular FormulaC17H26N6O2
Molecular Weight346.44 g/mol
Exact Mass346.21
IUPAC Name6-[[(2R)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCc1nc(C)n(C[C@H]2CCCCN2Cc2cc(=O)n(C)c(=O)n2C)n1
InChIInChI=1S/C17H26N6O2/c1-12-18-13(2)23(19-12)11-14-7-5-6-8-22(14)10-15-9-16(24)21(4)17(25)20(15)3/h9,14H,5-8,10-11H2,1-4H3/t14-/m1/s1
InChIKeyNXRFLQIUDWPMEE-CQSZACIVSA-N
XLogP0.35
TPSA77.95 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.44
LogP ≤ 50.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 6-[[(2R)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione with MolForge

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Launch Full Analysis

Related Compounds

6-[[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 112734010
1,3-dimethyl-6-[(2-methylpiperidin-1-yl)methyl]pyrimidine-2,4-dione
CID 42890000
(2S)-1-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidine
CID 95336727
5-[[(2R)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]methyl]-3-methyl-1,2,4-oxadiazole
CID 95308402
6-[[(2R)-2-(1,3-dioxolan-2-yl)piperidin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 95270913
(2S)-1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidine
CID 95336540
1-[3-[(2S)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]propyl]pyrrolidin-2-one
CID 95340619
5-[[(2S)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]methyl]-2-methyl-1,3-thiazole
CID 95305610
6-[[(2R)-2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 100848655
(2R)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-1-(2-methylprop-2-enyl)piperidine
CID 95305553
4-[(2S)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]butanenitrile
CID 95352436
2-[[(2R)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]methyl]-1,3-benzoxazole
CID 95978858

Frequently Asked Questions

What is the IUPAC name of 6-[[(2R)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 6-[[(2R)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione (CID 95307044) is 6-[[(2R)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 6-[[(2R)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 6-[[(2R)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione is Cc1nc(C)n(C[C@H]2CCCCN2Cc2cc(=O)n(C)c(=O)n2C)n1.
What is the InChIKey of 6-[[(2R)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is NXRFLQIUDWPMEE-CQSZACIVSA-N. The full InChI is InChI=1S/C17H26N6O2/c1-12-18-13(2)23(19-12)11-14-7-5-6-8-22(14)10-15-9-16(24)21(4)17(25)20(15)3/h9,14H,5-8,10-11H2,1-4H3/t14-/m1/s1.
What are the key properties of 6-[[(2R)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione?
6-[[(2R)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 346.44 g/mol, XLogP of 0.35, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(2R)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 95307044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).