2-[4-[(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)amino]piperidin-1-yl]-N-(2,6-dimethylphenyl)acetamide

C21H29N5O2 — CID 136761458

IUPAC2-[4-[(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)amino]piperidin-1-yl]-N-(2,6-dimethylphenyl)acetamide
SMILESCc1cccc(C)c1NC(=O)CN1CCC(Nc2nc(C)c(C)c(=O)[nH]2)CC1
InChIInChI=1S/C21H29N5O2/c1-13-6-5-7-14(2)19(13)24-18(27)12-26-10-8-17(9-11-26)23-21-22-16(4)15(3)20(28)25-21/h5-7,17H,8-12H2,1-4H3,(H,24,27)(H2,22,23,25,28)
InChIKeyUDDZMJYFEUIDFJ-UHFFFAOYSA-N
MW383.50 g/mol
LogP2.52
Rot. Bonds5

About 2-[4-[(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)amino]piperidin-1-yl]-N-(2,6-dimethylphenyl)acetamide

2-[4-[(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)amino]piperidin-1-yl]-N-(2,6-dimethylphenyl)acetamide (PubChem CID 136761458) has the molecular formula C21H29N5O2 and a molecular weight of 383.50 g/mol. Its IUPAC name is 2-[4-[(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)amino]piperidin-1-yl]-N-(2,6-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-[(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)amino]piperidin-1-yl]-N-(2,6-dimethylphenyl)acetamide
PubChem CID136761458
Molecular FormulaC21H29N5O2
Molecular Weight383.50 g/mol
Exact Mass383.23
IUPAC Name2-[4-[(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)amino]piperidin-1-yl]-N-(2,6-dimethylphenyl)acetamide
SMILESCc1cccc(C)c1NC(=O)CN1CCC(Nc2nc(C)c(C)c(=O)[nH]2)CC1
InChIInChI=1S/C21H29N5O2/c1-13-6-5-7-14(2)19(13)24-18(27)12-26-10-8-17(9-11-26)23-21-22-16(4)15(3)20(28)25-21/h5-7,17H,8-12H2,1-4H3,(H,24,27)(H2,22,23,25,28)
InChIKeyUDDZMJYFEUIDFJ-UHFFFAOYSA-N
XLogP2.52
TPSA90.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.50
LogP ≤ 52.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[4-[(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)amino]piperidin-1-yl]-N-(2,6-dimethylphenyl)acetamide with MolForge

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Related Compounds

1-[2-(2,6-dimethylanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 800463
N-(2,6-dimethylphenyl)-2-[4-(methanesulfonamido)piperidin-1-yl]acetamide
CID 86914366
2-[(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2,6-dimethylphenyl)acetamide
CID 135445799
N-(2,6-dimethylphenyl)-2-[4-[2-(4-methylpiperidin-1-yl)acetyl]piperazin-1-yl]acetamide
CID 8557874
2-[4-(1-aminoethyl)piperidin-1-yl]-N-(2,6-dimethylphenyl)acetamide;hydrochloride
CID 119920937
1-[2-(2-amino-6-methylanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 43375694
N-(2,6-dimethylphenyl)-2-[4-(piperidine-3-carbonyl)piperazin-1-yl]acetamide
CID 119833358
2-[4-[2-[[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl]piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide
CID 8917657
N-(2,3-dimethylphenyl)-2-[4-(methylamino)piperidin-1-yl]acetamide;hydrochloride
CID 119923569
2-[4-(2-chloro-6-methylanilino)piperidin-1-yl]-N,N-dimethylacetamide
CID 66251667
2-(1,4-diazepan-1-yl)-N-(2,6-dimethylphenyl)acetamide
CID 43162514
N-(2,6-dimethylphenyl)-2-[4-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]acetamide
CID 51632067

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)amino]piperidin-1-yl]-N-(2,6-dimethylphenyl)acetamide?
The IUPAC name of 2-[4-[(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)amino]piperidin-1-yl]-N-(2,6-dimethylphenyl)acetamide (CID 136761458) is 2-[4-[(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)amino]piperidin-1-yl]-N-(2,6-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[4-[(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)amino]piperidin-1-yl]-N-(2,6-dimethylphenyl)acetamide?
The canonical SMILES for 2-[4-[(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)amino]piperidin-1-yl]-N-(2,6-dimethylphenyl)acetamide is Cc1cccc(C)c1NC(=O)CN1CCC(Nc2nc(C)c(C)c(=O)[nH]2)CC1.
What is the InChIKey of 2-[4-[(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)amino]piperidin-1-yl]-N-(2,6-dimethylphenyl)acetamide?
The InChIKey is UDDZMJYFEUIDFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O2/c1-13-6-5-7-14(2)19(13)24-18(27)12-26-10-8-17(9-11-26)23-21-22-16(4)15(3)20(28)25-21/h5-7,17H,8-12H2,1-4H3,(H,24,27)(H2,22,23,25,28).
What are the key properties of 2-[4-[(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)amino]piperidin-1-yl]-N-(2,6-dimethylphenyl)acetamide?
2-[4-[(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)amino]piperidin-1-yl]-N-(2,6-dimethylphenyl)acetamide has a molecular weight of 383.50 g/mol, XLogP of 2.52, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)amino]piperidin-1-yl]-N-(2,6-dimethylphenyl)acetamide is sourced from PubChem (CID 136761458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).