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

C18H23N7O3 — CID 145053350

IUPAC[5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-2-pyridinyl]urea
SMILESNC(=O)Nc1ccc(-c2cc(N3CCOCC3)nc(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)
InChIKeyIGAJCAZGHXQTSZ-UHFFFAOYSA-N
MW385.43 g/mol
LogP0.70
Rot. Bonds4

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

[5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-2-pyridinyl]urea (PubChem CID 145053350) has the molecular formula C18H23N7O3 and a molecular weight of 385.43 g/mol. Its IUPAC name is [5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-2-pyridinyl]urea.

Molecular Properties

Compound Name[5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-2-pyridinyl]urea
PubChem CID145053350
Molecular FormulaC18H23N7O3
Molecular Weight385.43 g/mol
Exact Mass385.19
IUPAC Name[5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-2-pyridinyl]urea
SMILESNC(=O)Nc1ccc(-c2cc(N3CCOCC3)nc(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)
InChIKeyIGAJCAZGHXQTSZ-UHFFFAOYSA-N
XLogP0.70
TPSA118.73 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.43
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

[5-(2,6-dimorpholin-4-ylpyrimidin-1-ium-4-yl)-2-pyridinyl]urea
CID 145053349
[5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-6-(trifluoromethyl)-2-pyridinyl]urea
CID 141438349
1-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]-4-phenylpiperidin-4-ol
CID 68870383
N-[4-methyl-5-(6-morpholin-4-yl-2-piperidin-1-ylpyrimidin-4-yl)-2-pyridinyl]propanamide
CID 118565656
6-[6-(methylamino)-3-pyridinyl]-2-morpholin-4-yl-N-phenylpyrimidin-4-amine
CID 71177854
5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridine-2-carboxamide
CID 151222565
4-(4-morpholin-4-yl-6-phenylpyrimidin-2-yl)piperazine-1-carbaldehyde
CID 112935367
[2-(2-morpholin-4-ylpyrimidin-4-yl)phenyl]urea
CID 68760220
5-[6-(6-fluoro-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]pyridin-2-amine
CID 59507831
8-(4-morpholin-4-yl-6-phenylpyrimidin-2-yl)-1,4-dioxa-8-azaspiro[4.5]decane
CID 112935398
4-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]-N,N-dimethylbenzamide
CID 42613285
2-(carbamoylamino)-6-(6-morpholin-4-yl-3-pyridinyl)-1H-indole-3-carboxamide
CID 59189952

Frequently Asked Questions

What is the IUPAC name of [5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-2-pyridinyl]urea?
The IUPAC name of [5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-2-pyridinyl]urea (CID 145053350) is [5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-2-pyridinyl]urea.
What is the SMILES notation for [5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-2-pyridinyl]urea?
The canonical SMILES for [5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-2-pyridinyl]urea is NC(=O)Nc1ccc(-c2cc(N3CCOCC3)nc(N3CCOCC3)n2)cn1.
What is the InChIKey of [5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-2-pyridinyl]urea?
The InChIKey is IGAJCAZGHXQTSZ-UHFFFAOYSA-N. 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).
What are the key properties of [5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-2-pyridinyl]urea?
[5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-2-pyridinyl]urea has a molecular weight of 385.43 g/mol, XLogP of 0.70, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-2-pyridinyl]urea is sourced from PubChem (CID 145053350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).