[6-[4-[[(1R)-1-cyclohexylethyl]carbamoyl]-5-hydroxy-6-oxo-1H-pyrimidin-2-yl]-3-pyridinyl]carbamic acid

C19H23N5O5 — CID 137297093

IUPAC[6-[4-[[(1R)-1-cyclohexylethyl]carbamoyl]-5-hydroxy-6-oxo-1H-pyrimidin-2-yl]-3-pyridinyl]carbamic acid
SMILESC[C@@H](NC(=O)c1nc(-c2ccc(NC(=O)O)cn2)[nH]c(=O)c1O)C1CCCCC1
InChIInChI=1S/C19H23N5O5/c1-10(11-5-3-2-4-6-11)21-17(26)14-15(25)18(27)24-16(23-14)13-8-7-12(9-20-13)22-19(28)29/h7-11,22,25H,2-6H2,1H3,(H,21,26)(H,28,29)(H,23,24,27)/t10-/m1/s1
InChIKeyHUEWQRSXDCPEDT-SNVBAGLBSA-N
MW401.42 g/mol
LogP2.33
Rot. Bonds5

About [6-[4-[[(1R)-1-cyclohexylethyl]carbamoyl]-5-hydroxy-6-oxo-1H-pyrimidin-2-yl]-3-pyridinyl]carbamic acid

[6-[4-[[(1R)-1-cyclohexylethyl]carbamoyl]-5-hydroxy-6-oxo-1H-pyrimidin-2-yl]-3-pyridinyl]carbamic acid (PubChem CID 137297093) has the molecular formula C19H23N5O5 and a molecular weight of 401.42 g/mol. Its IUPAC name is [6-[4-[[(1R)-1-cyclohexylethyl]carbamoyl]-5-hydroxy-6-oxo-1H-pyrimidin-2-yl]-3-pyridinyl]carbamic acid.

Molecular Properties

Compound Name[6-[4-[[(1R)-1-cyclohexylethyl]carbamoyl]-5-hydroxy-6-oxo-1H-pyrimidin-2-yl]-3-pyridinyl]carbamic acid
PubChem CID137297093
Molecular FormulaC19H23N5O5
Molecular Weight401.42 g/mol
Exact Mass401.17
IUPAC Name[6-[4-[[(1R)-1-cyclohexylethyl]carbamoyl]-5-hydroxy-6-oxo-1H-pyrimidin-2-yl]-3-pyridinyl]carbamic acid
SMILESC[C@@H](NC(=O)c1nc(-c2ccc(NC(=O)O)cn2)[nH]c(=O)c1O)C1CCCCC1
InChIInChI=1S/C19H23N5O5/c1-10(11-5-3-2-4-6-11)21-17(26)14-15(25)18(27)24-16(23-14)13-8-7-12(9-20-13)22-19(28)29/h7-11,22,25H,2-6H2,1H3,(H,21,26)(H,28,29)(H,23,24,27)/t10-/m1/s1
InChIKeyHUEWQRSXDCPEDT-SNVBAGLBSA-N
XLogP2.33
TPSA157.30 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.42
LogP ≤ 52.33
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [6-[4-[[(1R)-1-cyclohexylethyl]carbamoyl]-5-hydroxy-6-oxo-1H-pyrimidin-2-yl]-3-pyridinyl]carbamic acid?
The IUPAC name of [6-[4-[[(1R)-1-cyclohexylethyl]carbamoyl]-5-hydroxy-6-oxo-1H-pyrimidin-2-yl]-3-pyridinyl]carbamic acid (CID 137297093) is [6-[4-[[(1R)-1-cyclohexylethyl]carbamoyl]-5-hydroxy-6-oxo-1H-pyrimidin-2-yl]-3-pyridinyl]carbamic acid.
What is the SMILES notation for [6-[4-[[(1R)-1-cyclohexylethyl]carbamoyl]-5-hydroxy-6-oxo-1H-pyrimidin-2-yl]-3-pyridinyl]carbamic acid?
The canonical SMILES for [6-[4-[[(1R)-1-cyclohexylethyl]carbamoyl]-5-hydroxy-6-oxo-1H-pyrimidin-2-yl]-3-pyridinyl]carbamic acid is C[C@@H](NC(=O)c1nc(-c2ccc(NC(=O)O)cn2)[nH]c(=O)c1O)C1CCCCC1.
What is the InChIKey of [6-[4-[[(1R)-1-cyclohexylethyl]carbamoyl]-5-hydroxy-6-oxo-1H-pyrimidin-2-yl]-3-pyridinyl]carbamic acid?
The InChIKey is HUEWQRSXDCPEDT-SNVBAGLBSA-N. The full InChI is InChI=1S/C19H23N5O5/c1-10(11-5-3-2-4-6-11)21-17(26)14-15(25)18(27)24-16(23-14)13-8-7-12(9-20-13)22-19(28)29/h7-11,22,25H,2-6H2,1H3,(H,21,26)(H,28,29)(H,23,24,27)/t10-/m1/s1.
What are the key properties of [6-[4-[[(1R)-1-cyclohexylethyl]carbamoyl]-5-hydroxy-6-oxo-1H-pyrimidin-2-yl]-3-pyridinyl]carbamic acid?
[6-[4-[[(1R)-1-cyclohexylethyl]carbamoyl]-5-hydroxy-6-oxo-1H-pyrimidin-2-yl]-3-pyridinyl]carbamic acid has a molecular weight of 401.42 g/mol, XLogP of 2.33, 5 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[4-[[(1R)-1-cyclohexylethyl]carbamoyl]-5-hydroxy-6-oxo-1H-pyrimidin-2-yl]-3-pyridinyl]carbamic acid is sourced from PubChem (CID 137297093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).