1-[(3R,4R)-1-(2,4-dimethylpyrimidine-5-carbonyl)-3-hydroxy-3-methylpiperidin-4-yl]pyrimidine-2,4-dione

C17H21N5O4 — CID 110147026

IUPAC1-[(3R,4R)-1-(2,4-dimethylpyrimidine-5-carbonyl)-3-hydroxy-3-methylpiperidin-4-yl]pyrimidine-2,4-dione
SMILESCc1ncc(C(=O)N2CC[C@@H](n3ccc(=O)[nH]c3=O)[C@](C)(O)C2)c(C)n1
InChIInChI=1S/C17H21N5O4/c1-10-12(8-18-11(2)19-10)15(24)21-6-4-13(17(3,26)9-21)22-7-5-14(23)20-16(22)25/h5,7-8,13,26H,4,6,9H2,1-3H3,(H,20,23,25)/t13-,17-/m1/s1
InChIKeyQKJFDZBDLDOOQC-CXAGYDPISA-N
MW359.39 g/mol
LogP-0.22
Rot. Bonds2

About 1-[(3R,4R)-1-(2,4-dimethylpyrimidine-5-carbonyl)-3-hydroxy-3-methylpiperidin-4-yl]pyrimidine-2,4-dione

1-[(3R,4R)-1-(2,4-dimethylpyrimidine-5-carbonyl)-3-hydroxy-3-methylpiperidin-4-yl]pyrimidine-2,4-dione (PubChem CID 110147026) has the molecular formula C17H21N5O4 and a molecular weight of 359.39 g/mol. Its IUPAC name is 1-[(3R,4R)-1-(2,4-dimethylpyrimidine-5-carbonyl)-3-hydroxy-3-methylpiperidin-4-yl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(3R,4R)-1-(2,4-dimethylpyrimidine-5-carbonyl)-3-hydroxy-3-methylpiperidin-4-yl]pyrimidine-2,4-dione
PubChem CID110147026
Molecular FormulaC17H21N5O4
Molecular Weight359.39 g/mol
Exact Mass359.16
IUPAC Name1-[(3R,4R)-1-(2,4-dimethylpyrimidine-5-carbonyl)-3-hydroxy-3-methylpiperidin-4-yl]pyrimidine-2,4-dione
SMILESCc1ncc(C(=O)N2CC[C@@H](n3ccc(=O)[nH]c3=O)[C@](C)(O)C2)c(C)n1
InChIInChI=1S/C17H21N5O4/c1-10-12(8-18-11(2)19-10)15(24)21-6-4-13(17(3,26)9-21)22-7-5-14(23)20-16(22)25/h5,7-8,13,26H,4,6,9H2,1-3H3,(H,20,23,25)/t13-,17-/m1/s1
InChIKeyQKJFDZBDLDOOQC-CXAGYDPISA-N
XLogP-0.22
TPSA121.18 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-[(3R,4R)-1-(2,4-dimethylpyrimidine-5-carbonyl)-3-hydroxy-3-methylpiperidin-4-yl]pyrimidine-2,4-dione with MolForge

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Related Compounds

1-[(3R,4R)-3-hydroxy-3-methyl-1-(4-methyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]pyrimidine-2,4-dione
CID 110146704
1-[(3R,4R)-3-hydroxy-3-methyl-1-(2-methylpyrazole-3-carbonyl)piperidin-4-yl]pyrimidine-2,4-dione
CID 110146643
1-[(3R,4R)-4-hydroxy-4-methyl-1-(4-methylpyrimidine-5-carbonyl)piperidin-3-yl]pyrimidine-2,4-dione
CID 110146830
1-[(3R,4R)-3-hydroxy-3-methyl-1-(1-methylpiperidin-4-yl)piperidin-4-yl]pyrimidine-2,4-dione
CID 110146508
1-[(3R,4R)-3-hydroxy-3-methyl-1-[(3-methyl-2-pyridinyl)methyl]piperidin-4-yl]pyrimidine-2,4-dione
CID 110146558
1-(2,4-dimethylpyrimidine-5-carbonyl)piperidine-4-carboxylic acid
CID 110836362
1-[(3R,4R)-3-hydroxy-1-(1H-imidazol-2-ylmethyl)-3-methylpiperidin-4-yl]pyrimidine-2,4-dione
CID 110146331
4-[[(3R,4R)-4-(2,4-dioxopyrimidin-1-yl)-3-hydroxy-3-methylpiperidin-1-yl]methyl]benzoic acid
CID 110147020
1-[(3R,4R)-3-hydroxy-3-methyl-1-[(3-methylimidazol-4-yl)methyl]piperidin-4-yl]pyrimidine-2,4-dione
CID 110146438
1-[(3R,4R)-4-hydroxy-4-methyl-1-(pyridine-3-carbonyl)piperidin-3-yl]pyrimidine-2,4-dione
CID 110146533
(2,4-dimethylpyrimidin-5-yl)-[(3S)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone
CID 125000279
(6S)-10-(cyclopropylmethyl)-4-(2,4-dimethylpyrimidine-5-carbonyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97200483

Frequently Asked Questions

What is the IUPAC name of 1-[(3R,4R)-1-(2,4-dimethylpyrimidine-5-carbonyl)-3-hydroxy-3-methylpiperidin-4-yl]pyrimidine-2,4-dione?
The IUPAC name of 1-[(3R,4R)-1-(2,4-dimethylpyrimidine-5-carbonyl)-3-hydroxy-3-methylpiperidin-4-yl]pyrimidine-2,4-dione (CID 110147026) is 1-[(3R,4R)-1-(2,4-dimethylpyrimidine-5-carbonyl)-3-hydroxy-3-methylpiperidin-4-yl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-[(3R,4R)-1-(2,4-dimethylpyrimidine-5-carbonyl)-3-hydroxy-3-methylpiperidin-4-yl]pyrimidine-2,4-dione?
The canonical SMILES for 1-[(3R,4R)-1-(2,4-dimethylpyrimidine-5-carbonyl)-3-hydroxy-3-methylpiperidin-4-yl]pyrimidine-2,4-dione is Cc1ncc(C(=O)N2CC[C@@H](n3ccc(=O)[nH]c3=O)[C@](C)(O)C2)c(C)n1.
What is the InChIKey of 1-[(3R,4R)-1-(2,4-dimethylpyrimidine-5-carbonyl)-3-hydroxy-3-methylpiperidin-4-yl]pyrimidine-2,4-dione?
The InChIKey is QKJFDZBDLDOOQC-CXAGYDPISA-N. The full InChI is InChI=1S/C17H21N5O4/c1-10-12(8-18-11(2)19-10)15(24)21-6-4-13(17(3,26)9-21)22-7-5-14(23)20-16(22)25/h5,7-8,13,26H,4,6,9H2,1-3H3,(H,20,23,25)/t13-,17-/m1/s1.
What are the key properties of 1-[(3R,4R)-1-(2,4-dimethylpyrimidine-5-carbonyl)-3-hydroxy-3-methylpiperidin-4-yl]pyrimidine-2,4-dione?
1-[(3R,4R)-1-(2,4-dimethylpyrimidine-5-carbonyl)-3-hydroxy-3-methylpiperidin-4-yl]pyrimidine-2,4-dione has a molecular weight of 359.39 g/mol, XLogP of -0.22, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R,4R)-1-(2,4-dimethylpyrimidine-5-carbonyl)-3-hydroxy-3-methylpiperidin-4-yl]pyrimidine-2,4-dione is sourced from PubChem (CID 110147026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).