N-(2,4-dioxo-1H-pyrimidin-5-yl)-6-morpholin-4-ylpyrimidine-4-carboxamide

C13H14N6O4 — CID 91816468

IUPACN-(2,4-dioxo-1H-pyrimidin-5-yl)-6-morpholin-4-ylpyrimidine-4-carboxamide
SMILESO=C(Nc1c[nH]c(=O)[nH]c1=O)c1cc(N2CCOCC2)ncn1
InChIInChI=1S/C13H14N6O4/c20-11(17-9-6-14-13(22)18-12(9)21)8-5-10(16-7-15-8)19-1-3-23-4-2-19/h5-7H,1-4H2,(H,17,20)(H2,14,18,21,22)
InChIKeyYTBJECUEHUXRHB-UHFFFAOYSA-N
MW318.29 g/mol
LogP-1.06
Rot. Bonds3

About N-(2,4-dioxo-1H-pyrimidin-5-yl)-6-morpholin-4-ylpyrimidine-4-carboxamide

N-(2,4-dioxo-1H-pyrimidin-5-yl)-6-morpholin-4-ylpyrimidine-4-carboxamide (PubChem CID 91816468) has the molecular formula C13H14N6O4 and a molecular weight of 318.29 g/mol. Its IUPAC name is N-(2,4-dioxo-1H-pyrimidin-5-yl)-6-morpholin-4-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2,4-dioxo-1H-pyrimidin-5-yl)-6-morpholin-4-ylpyrimidine-4-carboxamide
PubChem CID91816468
Molecular FormulaC13H14N6O4
Molecular Weight318.29 g/mol
Exact Mass318.11
IUPAC NameN-(2,4-dioxo-1H-pyrimidin-5-yl)-6-morpholin-4-ylpyrimidine-4-carboxamide
SMILESO=C(Nc1c[nH]c(=O)[nH]c1=O)c1cc(N2CCOCC2)ncn1
InChIInChI=1S/C13H14N6O4/c20-11(17-9-6-14-13(22)18-12(9)21)8-5-10(16-7-15-8)19-1-3-23-4-2-19/h5-7H,1-4H2,(H,17,20)(H2,14,18,21,22)
InChIKeyYTBJECUEHUXRHB-UHFFFAOYSA-N
XLogP-1.06
TPSA133.07 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.29
LogP ≤ 5-1.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dioxo-1H-pyrimidin-5-yl)-6-morpholin-4-ylpyrimidine-4-carboxamide?
The IUPAC name of N-(2,4-dioxo-1H-pyrimidin-5-yl)-6-morpholin-4-ylpyrimidine-4-carboxamide (CID 91816468) is N-(2,4-dioxo-1H-pyrimidin-5-yl)-6-morpholin-4-ylpyrimidine-4-carboxamide.
What is the SMILES notation for N-(2,4-dioxo-1H-pyrimidin-5-yl)-6-morpholin-4-ylpyrimidine-4-carboxamide?
The canonical SMILES for N-(2,4-dioxo-1H-pyrimidin-5-yl)-6-morpholin-4-ylpyrimidine-4-carboxamide is O=C(Nc1c[nH]c(=O)[nH]c1=O)c1cc(N2CCOCC2)ncn1.
What is the InChIKey of N-(2,4-dioxo-1H-pyrimidin-5-yl)-6-morpholin-4-ylpyrimidine-4-carboxamide?
The InChIKey is YTBJECUEHUXRHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N6O4/c20-11(17-9-6-14-13(22)18-12(9)21)8-5-10(16-7-15-8)19-1-3-23-4-2-19/h5-7H,1-4H2,(H,17,20)(H2,14,18,21,22).
What are the key properties of N-(2,4-dioxo-1H-pyrimidin-5-yl)-6-morpholin-4-ylpyrimidine-4-carboxamide?
N-(2,4-dioxo-1H-pyrimidin-5-yl)-6-morpholin-4-ylpyrimidine-4-carboxamide has a molecular weight of 318.29 g/mol, XLogP of -1.06, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dioxo-1H-pyrimidin-5-yl)-6-morpholin-4-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 91816468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).