[5-(2,6-dimorpholin-4-ylpyrimidin-1-ium-4-yl)-2-pyridinyl]urea

C18H24N7O3+ — CID 145053349

IUPAC[5-(2,6-dimorpholin-4-ylpyrimidin-1-ium-4-yl)-2-pyridinyl]urea
SMILESNC(=O)Nc1ccc(-c2cc(N3CCOCC3)[nH+]c(N3CCOCC3)n2)cn1
InChIInChI=1S/C18H23N7O3/c19-17(26)22-15-2-1-13(12-20-15)14-11-16(24-3-7-27-8-4-24)23-18(21-14)25-5-9-28-10-6-25/h1-2,11-12H,3-10H2,(H3,19,20,22,26)/p+1
InChIKeyIGAJCAZGHXQTSZ-UHFFFAOYSA-O
MW386.44 g/mol
LogP0.12
Rot. Bonds4

About [5-(2,6-dimorpholin-4-ylpyrimidin-1-ium-4-yl)-2-pyridinyl]urea

[5-(2,6-dimorpholin-4-ylpyrimidin-1-ium-4-yl)-2-pyridinyl]urea (PubChem CID 145053349) has the molecular formula C18H24N7O3+ and a molecular weight of 386.44 g/mol. Its IUPAC name is [5-(2,6-dimorpholin-4-ylpyrimidin-1-ium-4-yl)-2-pyridinyl]urea.

Molecular Properties

Compound Name[5-(2,6-dimorpholin-4-ylpyrimidin-1-ium-4-yl)-2-pyridinyl]urea
PubChem CID145053349
Molecular FormulaC18H24N7O3+
Molecular Weight386.44 g/mol
Exact Mass386.19
IUPAC Name[5-(2,6-dimorpholin-4-ylpyrimidin-1-ium-4-yl)-2-pyridinyl]urea
SMILESNC(=O)Nc1ccc(-c2cc(N3CCOCC3)[nH+]c(N3CCOCC3)n2)cn1
InChIInChI=1S/C18H23N7O3/c19-17(26)22-15-2-1-13(12-20-15)14-11-16(24-3-7-27-8-4-24)23-18(21-14)25-5-9-28-10-6-25/h1-2,11-12H,3-10H2,(H3,19,20,22,26)/p+1
InChIKeyIGAJCAZGHXQTSZ-UHFFFAOYSA-O
XLogP0.12
TPSA119.98 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.44
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [5-(2,6-dimorpholin-4-ylpyrimidin-1-ium-4-yl)-2-pyridinyl]urea?
The IUPAC name of [5-(2,6-dimorpholin-4-ylpyrimidin-1-ium-4-yl)-2-pyridinyl]urea (CID 145053349) is [5-(2,6-dimorpholin-4-ylpyrimidin-1-ium-4-yl)-2-pyridinyl]urea.
What is the SMILES notation for [5-(2,6-dimorpholin-4-ylpyrimidin-1-ium-4-yl)-2-pyridinyl]urea?
The canonical SMILES for [5-(2,6-dimorpholin-4-ylpyrimidin-1-ium-4-yl)-2-pyridinyl]urea is NC(=O)Nc1ccc(-c2cc(N3CCOCC3)[nH+]c(N3CCOCC3)n2)cn1.
What is the InChIKey of [5-(2,6-dimorpholin-4-ylpyrimidin-1-ium-4-yl)-2-pyridinyl]urea?
The InChIKey is IGAJCAZGHXQTSZ-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H23N7O3/c19-17(26)22-15-2-1-13(12-20-15)14-11-16(24-3-7-27-8-4-24)23-18(21-14)25-5-9-28-10-6-25/h1-2,11-12H,3-10H2,(H3,19,20,22,26)/p+1.
What are the key properties of [5-(2,6-dimorpholin-4-ylpyrimidin-1-ium-4-yl)-2-pyridinyl]urea?
[5-(2,6-dimorpholin-4-ylpyrimidin-1-ium-4-yl)-2-pyridinyl]urea has a molecular weight of 386.44 g/mol, XLogP of 0.12, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2,6-dimorpholin-4-ylpyrimidin-1-ium-4-yl)-2-pyridinyl]urea is sourced from PubChem (CID 145053349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).