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

C15H20N8O — CID 72879096

IUPAC1-(1-imidazo[1,2-a]pyrimidin-2-ylpropyl)-3-(1-propyltriazol-4-yl)urea
SMILESCCCn1cc(NC(=O)NC(CC)c2cn3cccnc3n2)nn1
InChIInChI=1S/C15H20N8O/c1-3-7-23-10-13(20-21-23)19-15(24)18-11(4-2)12-9-22-8-5-6-16-14(22)17-12/h5-6,8-11H,3-4,7H2,1-2H3,(H2,18,19,24)
InChIKeyHTPUJKDWTNEPSD-UHFFFAOYSA-N
MW328.38 g/mol
LogP2.00
Rot. Bonds6

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

1-(1-imidazo[1,2-a]pyrimidin-2-ylpropyl)-3-(1-propyltriazol-4-yl)urea (PubChem CID 72879096) has the molecular formula C15H20N8O and a molecular weight of 328.38 g/mol. Its IUPAC name is 1-(1-imidazo[1,2-a]pyrimidin-2-ylpropyl)-3-(1-propyltriazol-4-yl)urea.

Molecular Properties

Compound Name1-(1-imidazo[1,2-a]pyrimidin-2-ylpropyl)-3-(1-propyltriazol-4-yl)urea
PubChem CID72879096
Molecular FormulaC15H20N8O
Molecular Weight328.38 g/mol
Exact Mass328.18
IUPAC Name1-(1-imidazo[1,2-a]pyrimidin-2-ylpropyl)-3-(1-propyltriazol-4-yl)urea
SMILESCCCn1cc(NC(=O)NC(CC)c2cn3cccnc3n2)nn1
InChIInChI=1S/C15H20N8O/c1-3-7-23-10-13(20-21-23)19-15(24)18-11(4-2)12-9-22-8-5-6-16-14(22)17-12/h5-6,8-11H,3-4,7H2,1-2H3,(H2,18,19,24)
InChIKeyHTPUJKDWTNEPSD-UHFFFAOYSA-N
XLogP2.00
TPSA102.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(1-imidazo[1,2-a]pyrimidin-2-ylpropyl)-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide
CID 72916676
N-[(1R)-1-imidazo[1,2-a]pyrimidin-2-ylpropyl]-2-methyl-2-pyrrolidin-1-ylpropanamide
CID 126436371
5-chloro-N-[(1S)-1-imidazo[1,2-a]pyrimidin-2-ylpropyl]thiophene-2-carboxamide
CID 99973548
1-(4-aminocyclohexyl)-N-[(1R)-1-imidazo[1,2-a]pyrimidin-2-ylpropyl]triazole-4-carboxamide
CID 98308001
N-(1-imidazo[1,2-a]pyrimidin-2-ylpropyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 90651651
N-[(1R)-1-imidazo[1,2-a]pyrimidin-2-ylpropyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 99973207
N-[(1S)-1-imidazo[1,2-a]pyrimidin-2-ylpropyl]-5-propyl-1H-pyrazole-3-carboxamide
CID 97133513
1-ethyl-N-[(1R)-1-imidazo[1,2-a]pyrimidin-2-ylpropyl]-3-(2-methylpropyl)pyrazole-5-carboxamide
CID 97150133
5-ethoxy-N-(1-imidazo[1,2-a]pyrimidin-2-ylpropyl)furan-2-carboxamide
CID 90653702
3-amino-4-chloro-N-[(1R)-1-imidazo[1,2-a]pyrimidin-2-ylpropyl]-1H-pyrazole-5-carboxamide
CID 99933087
N-(1-imidazo[1,2-a]pyrimidin-2-ylpropyl)-2-(2-methyl-1H-indol-3-yl)acetamide
CID 86285330
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(1-imidazo[1,2-a]pyrimidin-2-ylpropyl)acetamide
CID 86285049

Frequently Asked Questions

What is the IUPAC name of 1-(1-imidazo[1,2-a]pyrimidin-2-ylpropyl)-3-(1-propyltriazol-4-yl)urea?
The IUPAC name of 1-(1-imidazo[1,2-a]pyrimidin-2-ylpropyl)-3-(1-propyltriazol-4-yl)urea (CID 72879096) is 1-(1-imidazo[1,2-a]pyrimidin-2-ylpropyl)-3-(1-propyltriazol-4-yl)urea.
What is the SMILES notation for 1-(1-imidazo[1,2-a]pyrimidin-2-ylpropyl)-3-(1-propyltriazol-4-yl)urea?
The canonical SMILES for 1-(1-imidazo[1,2-a]pyrimidin-2-ylpropyl)-3-(1-propyltriazol-4-yl)urea is CCCn1cc(NC(=O)NC(CC)c2cn3cccnc3n2)nn1.
What is the InChIKey of 1-(1-imidazo[1,2-a]pyrimidin-2-ylpropyl)-3-(1-propyltriazol-4-yl)urea?
The InChIKey is HTPUJKDWTNEPSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N8O/c1-3-7-23-10-13(20-21-23)19-15(24)18-11(4-2)12-9-22-8-5-6-16-14(22)17-12/h5-6,8-11H,3-4,7H2,1-2H3,(H2,18,19,24).
What are the key properties of 1-(1-imidazo[1,2-a]pyrimidin-2-ylpropyl)-3-(1-propyltriazol-4-yl)urea?
1-(1-imidazo[1,2-a]pyrimidin-2-ylpropyl)-3-(1-propyltriazol-4-yl)urea has a molecular weight of 328.38 g/mol, XLogP of 2.00, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-imidazo[1,2-a]pyrimidin-2-ylpropyl)-3-(1-propyltriazol-4-yl)urea is sourced from PubChem (CID 72879096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).