(4-imidazo[1,2-a]pyrimidin-2-yl-3-methoxyphenyl)urea

C14H13N5O2 — CID 70045168

IUPAC(4-imidazo[1,2-a]pyrimidin-2-yl-3-methoxyphenyl)urea
SMILESCOc1cc(NC(N)=O)ccc1-c1cn2cccnc2n1
InChIInChI=1S/C14H13N5O2/c1-21-12-7-9(17-13(15)20)3-4-10(12)11-8-19-6-2-5-16-14(19)18-11/h2-8H,1H3,(H3,15,17,20)
InChIKeyXVJNGUGEEYAUSZ-UHFFFAOYSA-N
MW283.29 g/mol
LogP1.90
Rot. Bonds3

About (4-imidazo[1,2-a]pyrimidin-2-yl-3-methoxyphenyl)urea

(4-imidazo[1,2-a]pyrimidin-2-yl-3-methoxyphenyl)urea (PubChem CID 70045168) has the molecular formula C14H13N5O2 and a molecular weight of 283.29 g/mol. Its IUPAC name is (4-imidazo[1,2-a]pyrimidin-2-yl-3-methoxyphenyl)urea.

Molecular Properties

Compound Name(4-imidazo[1,2-a]pyrimidin-2-yl-3-methoxyphenyl)urea
PubChem CID70045168
Molecular FormulaC14H13N5O2
Molecular Weight283.29 g/mol
Exact Mass283.11
IUPAC Name(4-imidazo[1,2-a]pyrimidin-2-yl-3-methoxyphenyl)urea
SMILESCOc1cc(NC(N)=O)ccc1-c1cn2cccnc2n1
InChIInChI=1S/C14H13N5O2/c1-21-12-7-9(17-13(15)20)3-4-10(12)11-8-19-6-2-5-16-14(19)18-11/h2-8H,1H3,(H3,15,17,20)
InChIKeyXVJNGUGEEYAUSZ-UHFFFAOYSA-N
XLogP1.90
TPSA94.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-imidazo[1,2-a]pyrimidin-2-yl-3-methoxyphenyl)urea?
The IUPAC name of (4-imidazo[1,2-a]pyrimidin-2-yl-3-methoxyphenyl)urea (CID 70045168) is (4-imidazo[1,2-a]pyrimidin-2-yl-3-methoxyphenyl)urea.
What is the SMILES notation for (4-imidazo[1,2-a]pyrimidin-2-yl-3-methoxyphenyl)urea?
The canonical SMILES for (4-imidazo[1,2-a]pyrimidin-2-yl-3-methoxyphenyl)urea is COc1cc(NC(N)=O)ccc1-c1cn2cccnc2n1.
What is the InChIKey of (4-imidazo[1,2-a]pyrimidin-2-yl-3-methoxyphenyl)urea?
The InChIKey is XVJNGUGEEYAUSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O2/c1-21-12-7-9(17-13(15)20)3-4-10(12)11-8-19-6-2-5-16-14(19)18-11/h2-8H,1H3,(H3,15,17,20).
What are the key properties of (4-imidazo[1,2-a]pyrimidin-2-yl-3-methoxyphenyl)urea?
(4-imidazo[1,2-a]pyrimidin-2-yl-3-methoxyphenyl)urea has a molecular weight of 283.29 g/mol, XLogP of 1.90, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-imidazo[1,2-a]pyrimidin-2-yl-3-methoxyphenyl)urea is sourced from PubChem (CID 70045168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).