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

C21H23N9O — CID 45484759

IUPAC1-[7-[2-(dimethylamino)pyrimidin-5-yl]-5-(5-methylpyrimidin-2-yl)imidazo[1,2-a]pyridin-2-yl]-3-ethylurea
SMILESCCNC(=O)Nc1cn2c(-c3ncc(C)cn3)cc(-c3cnc(N(C)C)nc3)cc2n1
InChIInChI=1S/C21H23N9O/c1-5-22-21(31)28-17-12-30-16(19-23-8-13(2)9-24-19)6-14(7-18(30)27-17)15-10-25-20(26-11-15)29(3)4/h6-12H,5H2,1-4H3,(H2,22,28,31)
InChIKeyBERMWPOSONSRQV-UHFFFAOYSA-N
MW417.48 g/mol
LogP2.76
Rot. Bonds5

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

1-[7-[2-(dimethylamino)pyrimidin-5-yl]-5-(5-methylpyrimidin-2-yl)imidazo[1,2-a]pyridin-2-yl]-3-ethylurea (PubChem CID 45484759) has the molecular formula C21H23N9O and a molecular weight of 417.48 g/mol. Its IUPAC name is 1-[7-[2-(dimethylamino)pyrimidin-5-yl]-5-(5-methylpyrimidin-2-yl)imidazo[1,2-a]pyridin-2-yl]-3-ethylurea.

Molecular Properties

Compound Name1-[7-[2-(dimethylamino)pyrimidin-5-yl]-5-(5-methylpyrimidin-2-yl)imidazo[1,2-a]pyridin-2-yl]-3-ethylurea
PubChem CID45484759
Molecular FormulaC21H23N9O
Molecular Weight417.48 g/mol
Exact Mass417.20
IUPAC Name1-[7-[2-(dimethylamino)pyrimidin-5-yl]-5-(5-methylpyrimidin-2-yl)imidazo[1,2-a]pyridin-2-yl]-3-ethylurea
SMILESCCNC(=O)Nc1cn2c(-c3ncc(C)cn3)cc(-c3cnc(N(C)C)nc3)cc2n1
InChIInChI=1S/C21H23N9O/c1-5-22-21(31)28-17-12-30-16(19-23-8-13(2)9-24-19)6-14(7-18(30)27-17)15-10-25-20(26-11-15)29(3)4/h6-12H,5H2,1-4H3,(H2,22,28,31)
InChIKeyBERMWPOSONSRQV-UHFFFAOYSA-N
XLogP2.76
TPSA113.23 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.48
LogP ≤ 52.76
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-(5-methylpyrimidin-2-yl)imidazo[1,2-a]pyridin-2-yl]-3-ethylurea?
The IUPAC name of 1-[7-[2-(dimethylamino)pyrimidin-5-yl]-5-(5-methylpyrimidin-2-yl)imidazo[1,2-a]pyridin-2-yl]-3-ethylurea (CID 45484759) is 1-[7-[2-(dimethylamino)pyrimidin-5-yl]-5-(5-methylpyrimidin-2-yl)imidazo[1,2-a]pyridin-2-yl]-3-ethylurea.
What is the SMILES notation for 1-[7-[2-(dimethylamino)pyrimidin-5-yl]-5-(5-methylpyrimidin-2-yl)imidazo[1,2-a]pyridin-2-yl]-3-ethylurea?
The canonical SMILES for 1-[7-[2-(dimethylamino)pyrimidin-5-yl]-5-(5-methylpyrimidin-2-yl)imidazo[1,2-a]pyridin-2-yl]-3-ethylurea is CCNC(=O)Nc1cn2c(-c3ncc(C)cn3)cc(-c3cnc(N(C)C)nc3)cc2n1.
What is the InChIKey of 1-[7-[2-(dimethylamino)pyrimidin-5-yl]-5-(5-methylpyrimidin-2-yl)imidazo[1,2-a]pyridin-2-yl]-3-ethylurea?
The InChIKey is BERMWPOSONSRQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N9O/c1-5-22-21(31)28-17-12-30-16(19-23-8-13(2)9-24-19)6-14(7-18(30)27-17)15-10-25-20(26-11-15)29(3)4/h6-12H,5H2,1-4H3,(H2,22,28,31).
What are the key properties of 1-[7-[2-(dimethylamino)pyrimidin-5-yl]-5-(5-methylpyrimidin-2-yl)imidazo[1,2-a]pyridin-2-yl]-3-ethylurea?
1-[7-[2-(dimethylamino)pyrimidin-5-yl]-5-(5-methylpyrimidin-2-yl)imidazo[1,2-a]pyridin-2-yl]-3-ethylurea has a molecular weight of 417.48 g/mol, XLogP of 2.76, 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-(5-methylpyrimidin-2-yl)imidazo[1,2-a]pyridin-2-yl]-3-ethylurea is sourced from PubChem (CID 45484759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).