1-[(3R,4R)-4-hydroxy-4-methyl-1-(4-methylpyrimidine-5-carbonyl)piperidin-3-yl]pyrimidine-2,4-dione

C16H19N5O4 — CID 110146830

IUPAC1-[(3R,4R)-4-hydroxy-4-methyl-1-(4-methylpyrimidine-5-carbonyl)piperidin-3-yl]pyrimidine-2,4-dione
SMILESCc1ncncc1C(=O)N1CC[C@@](C)(O)[C@H](n2ccc(=O)[nH]c2=O)C1
InChIInChI=1S/C16H19N5O4/c1-10-11(7-17-9-18-10)14(23)20-6-4-16(2,25)12(8-20)21-5-3-13(22)19-15(21)24/h3,5,7,9,12,25H,4,6,8H2,1-2H3,(H,19,22,24)/t12-,16-/m1/s1
InChIKeyNWVXYTJUFGZXRG-MLGOLLRUSA-N
MW345.36 g/mol
LogP-0.53
Rot. Bonds2

About 1-[(3R,4R)-4-hydroxy-4-methyl-1-(4-methylpyrimidine-5-carbonyl)piperidin-3-yl]pyrimidine-2,4-dione

1-[(3R,4R)-4-hydroxy-4-methyl-1-(4-methylpyrimidine-5-carbonyl)piperidin-3-yl]pyrimidine-2,4-dione (PubChem CID 110146830) has the molecular formula C16H19N5O4 and a molecular weight of 345.36 g/mol. Its IUPAC name is 1-[(3R,4R)-4-hydroxy-4-methyl-1-(4-methylpyrimidine-5-carbonyl)piperidin-3-yl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(3R,4R)-4-hydroxy-4-methyl-1-(4-methylpyrimidine-5-carbonyl)piperidin-3-yl]pyrimidine-2,4-dione
PubChem CID110146830
Molecular FormulaC16H19N5O4
Molecular Weight345.36 g/mol
Exact Mass345.14
IUPAC Name1-[(3R,4R)-4-hydroxy-4-methyl-1-(4-methylpyrimidine-5-carbonyl)piperidin-3-yl]pyrimidine-2,4-dione
SMILESCc1ncncc1C(=O)N1CC[C@@](C)(O)[C@H](n2ccc(=O)[nH]c2=O)C1
InChIInChI=1S/C16H19N5O4/c1-10-11(7-17-9-18-10)14(23)20-6-4-16(2,25)12(8-20)21-5-3-13(22)19-15(21)24/h3,5,7,9,12,25H,4,6,8H2,1-2H3,(H,19,22,24)/t12-,16-/m1/s1
InChIKeyNWVXYTJUFGZXRG-MLGOLLRUSA-N
XLogP-0.53
TPSA121.18 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
LogP ≤ 5-0.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[(3R,4R)-4-hydroxy-4-methyl-1-(4-methylpyrimidine-5-carbonyl)piperidin-3-yl]pyrimidine-2,4-dione?
The IUPAC name of 1-[(3R,4R)-4-hydroxy-4-methyl-1-(4-methylpyrimidine-5-carbonyl)piperidin-3-yl]pyrimidine-2,4-dione (CID 110146830) is 1-[(3R,4R)-4-hydroxy-4-methyl-1-(4-methylpyrimidine-5-carbonyl)piperidin-3-yl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-[(3R,4R)-4-hydroxy-4-methyl-1-(4-methylpyrimidine-5-carbonyl)piperidin-3-yl]pyrimidine-2,4-dione?
The canonical SMILES for 1-[(3R,4R)-4-hydroxy-4-methyl-1-(4-methylpyrimidine-5-carbonyl)piperidin-3-yl]pyrimidine-2,4-dione is Cc1ncncc1C(=O)N1CC[C@@](C)(O)[C@H](n2ccc(=O)[nH]c2=O)C1.
What is the InChIKey of 1-[(3R,4R)-4-hydroxy-4-methyl-1-(4-methylpyrimidine-5-carbonyl)piperidin-3-yl]pyrimidine-2,4-dione?
The InChIKey is NWVXYTJUFGZXRG-MLGOLLRUSA-N. The full InChI is InChI=1S/C16H19N5O4/c1-10-11(7-17-9-18-10)14(23)20-6-4-16(2,25)12(8-20)21-5-3-13(22)19-15(21)24/h3,5,7,9,12,25H,4,6,8H2,1-2H3,(H,19,22,24)/t12-,16-/m1/s1.
What are the key properties of 1-[(3R,4R)-4-hydroxy-4-methyl-1-(4-methylpyrimidine-5-carbonyl)piperidin-3-yl]pyrimidine-2,4-dione?
1-[(3R,4R)-4-hydroxy-4-methyl-1-(4-methylpyrimidine-5-carbonyl)piperidin-3-yl]pyrimidine-2,4-dione has a molecular weight of 345.36 g/mol, XLogP of -0.53, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R,4R)-4-hydroxy-4-methyl-1-(4-methylpyrimidine-5-carbonyl)piperidin-3-yl]pyrimidine-2,4-dione is sourced from PubChem (CID 110146830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).