[2-(morpholin-4-ylmethyl)pyrimidin-5-yl]carbamic acid

C10H14N4O3 — CID 118497603

IUPAC[2-(morpholin-4-ylmethyl)pyrimidin-5-yl]carbamic acid
SMILESO=C(O)Nc1cnc(CN2CCOCC2)nc1
InChIInChI=1S/C10H14N4O3/c15-10(16)13-8-5-11-9(12-6-8)7-14-1-3-17-4-2-14/h5-6,13H,1-4,7H2,(H,15,16)
InChIKeyODGRGUQYGMKZNM-UHFFFAOYSA-N
MW238.25 g/mol
LogP0.40
Rot. Bonds3

About [2-(morpholin-4-ylmethyl)pyrimidin-5-yl]carbamic acid

[2-(morpholin-4-ylmethyl)pyrimidin-5-yl]carbamic acid (PubChem CID 118497603) has the molecular formula C10H14N4O3 and a molecular weight of 238.25 g/mol. Its IUPAC name is [2-(morpholin-4-ylmethyl)pyrimidin-5-yl]carbamic acid.

Molecular Properties

Compound Name[2-(morpholin-4-ylmethyl)pyrimidin-5-yl]carbamic acid
PubChem CID118497603
Molecular FormulaC10H14N4O3
Molecular Weight238.25 g/mol
Exact Mass238.11
IUPAC Name[2-(morpholin-4-ylmethyl)pyrimidin-5-yl]carbamic acid
SMILESO=C(O)Nc1cnc(CN2CCOCC2)nc1
InChIInChI=1S/C10H14N4O3/c15-10(16)13-8-5-11-9(12-6-8)7-14-1-3-17-4-2-14/h5-6,13H,1-4,7H2,(H,15,16)
InChIKeyODGRGUQYGMKZNM-UHFFFAOYSA-N
XLogP0.40
TPSA87.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(morpholin-4-ylmethyl)pyrimidin-5-yl]carbamic acid?
The IUPAC name of [2-(morpholin-4-ylmethyl)pyrimidin-5-yl]carbamic acid (CID 118497603) is [2-(morpholin-4-ylmethyl)pyrimidin-5-yl]carbamic acid.
What is the SMILES notation for [2-(morpholin-4-ylmethyl)pyrimidin-5-yl]carbamic acid?
The canonical SMILES for [2-(morpholin-4-ylmethyl)pyrimidin-5-yl]carbamic acid is O=C(O)Nc1cnc(CN2CCOCC2)nc1.
What is the InChIKey of [2-(morpholin-4-ylmethyl)pyrimidin-5-yl]carbamic acid?
The InChIKey is ODGRGUQYGMKZNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O3/c15-10(16)13-8-5-11-9(12-6-8)7-14-1-3-17-4-2-14/h5-6,13H,1-4,7H2,(H,15,16).
What are the key properties of [2-(morpholin-4-ylmethyl)pyrimidin-5-yl]carbamic acid?
[2-(morpholin-4-ylmethyl)pyrimidin-5-yl]carbamic acid has a molecular weight of 238.25 g/mol, XLogP of 0.40, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(morpholin-4-ylmethyl)pyrimidin-5-yl]carbamic acid is sourced from PubChem (CID 118497603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).