1-[7-[2-(dimethylamino)pyrimidin-5-yl]-5-pyrimidin-2-ylimidazo[1,2-a]pyridin-2-yl]-3-ethylurea

C20H21N9O — CID 11384130

IUPAC1-[7-[2-(dimethylamino)pyrimidin-5-yl]-5-pyrimidin-2-ylimidazo[1,2-a]pyridin-2-yl]-3-ethylurea
SMILESCCNC(=O)Nc1cn2c(-c3ncccn3)cc(-c3cnc(N(C)C)nc3)cc2n1
InChIInChI=1S/C20H21N9O/c1-4-21-20(30)27-16-12-29-15(18-22-6-5-7-23-18)8-13(9-17(29)26-16)14-10-24-19(25-11-14)28(2)3/h5-12H,4H2,1-3H3,(H2,21,27,30)
InChIKeyKCCNGWJHGUKZEA-UHFFFAOYSA-N
MW403.45 g/mol
LogP2.46
Rot. Bonds5

About 1-[7-[2-(dimethylamino)pyrimidin-5-yl]-5-pyrimidin-2-ylimidazo[1,2-a]pyridin-2-yl]-3-ethylurea

1-[7-[2-(dimethylamino)pyrimidin-5-yl]-5-pyrimidin-2-ylimidazo[1,2-a]pyridin-2-yl]-3-ethylurea (PubChem CID 11384130) has the molecular formula C20H21N9O and a molecular weight of 403.45 g/mol. Its IUPAC name is 1-[7-[2-(dimethylamino)pyrimidin-5-yl]-5-pyrimidin-2-ylimidazo[1,2-a]pyridin-2-yl]-3-ethylurea.

Molecular Properties

Compound Name1-[7-[2-(dimethylamino)pyrimidin-5-yl]-5-pyrimidin-2-ylimidazo[1,2-a]pyridin-2-yl]-3-ethylurea
PubChem CID11384130
Molecular FormulaC20H21N9O
Molecular Weight403.45 g/mol
Exact Mass403.19
IUPAC Name1-[7-[2-(dimethylamino)pyrimidin-5-yl]-5-pyrimidin-2-ylimidazo[1,2-a]pyridin-2-yl]-3-ethylurea
SMILESCCNC(=O)Nc1cn2c(-c3ncccn3)cc(-c3cnc(N(C)C)nc3)cc2n1
InChIInChI=1S/C20H21N9O/c1-4-21-20(30)27-16-12-29-15(18-22-6-5-7-23-18)8-13(9-17(29)26-16)14-10-24-19(25-11-14)28(2)3/h5-12H,4H2,1-3H3,(H2,21,27,30)
InChIKeyKCCNGWJHGUKZEA-UHFFFAOYSA-N
XLogP2.46
TPSA113.23 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.45
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[7-[2-(dimethylamino)pyrimidin-5-yl]-5-pyrimidin-2-ylimidazo[1,2-a]pyridin-2-yl]-3-ethylurea?
The IUPAC name of 1-[7-[2-(dimethylamino)pyrimidin-5-yl]-5-pyrimidin-2-ylimidazo[1,2-a]pyridin-2-yl]-3-ethylurea (CID 11384130) is 1-[7-[2-(dimethylamino)pyrimidin-5-yl]-5-pyrimidin-2-ylimidazo[1,2-a]pyridin-2-yl]-3-ethylurea.
What is the SMILES notation for 1-[7-[2-(dimethylamino)pyrimidin-5-yl]-5-pyrimidin-2-ylimidazo[1,2-a]pyridin-2-yl]-3-ethylurea?
The canonical SMILES for 1-[7-[2-(dimethylamino)pyrimidin-5-yl]-5-pyrimidin-2-ylimidazo[1,2-a]pyridin-2-yl]-3-ethylurea is CCNC(=O)Nc1cn2c(-c3ncccn3)cc(-c3cnc(N(C)C)nc3)cc2n1.
What is the InChIKey of 1-[7-[2-(dimethylamino)pyrimidin-5-yl]-5-pyrimidin-2-ylimidazo[1,2-a]pyridin-2-yl]-3-ethylurea?
The InChIKey is KCCNGWJHGUKZEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N9O/c1-4-21-20(30)27-16-12-29-15(18-22-6-5-7-23-18)8-13(9-17(29)26-16)14-10-24-19(25-11-14)28(2)3/h5-12H,4H2,1-3H3,(H2,21,27,30).
What are the key properties of 1-[7-[2-(dimethylamino)pyrimidin-5-yl]-5-pyrimidin-2-ylimidazo[1,2-a]pyridin-2-yl]-3-ethylurea?
1-[7-[2-(dimethylamino)pyrimidin-5-yl]-5-pyrimidin-2-ylimidazo[1,2-a]pyridin-2-yl]-3-ethylurea has a molecular weight of 403.45 g/mol, XLogP of 2.46, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-[2-(dimethylamino)pyrimidin-5-yl]-5-pyrimidin-2-ylimidazo[1,2-a]pyridin-2-yl]-3-ethylurea is sourced from PubChem (CID 11384130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).