1-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-3-(2-imidazol-1-ylethyl)urea

C15H17N7O3 — CID 51081989

IUPAC1-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-3-(2-imidazol-1-ylethyl)urea
SMILESCn1c(=O)c2cc(NC(=O)NCCn3ccnc3)cnc2n(C)c1=O
InChIInChI=1S/C15H17N7O3/c1-20-12-11(13(23)21(2)15(20)25)7-10(8-18-12)19-14(24)17-4-6-22-5-3-16-9-22/h3,5,7-9H,4,6H2,1-2H3,(H2,17,19,24)
InChIKeyLNNOEOQKOKSOHP-UHFFFAOYSA-N
MW343.35 g/mol
LogP-0.35
Rot. Bonds4

About 1-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-3-(2-imidazol-1-ylethyl)urea

1-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-3-(2-imidazol-1-ylethyl)urea (PubChem CID 51081989) has the molecular formula C15H17N7O3 and a molecular weight of 343.35 g/mol. Its IUPAC name is 1-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-3-(2-imidazol-1-ylethyl)urea.

Molecular Properties

Compound Name1-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-3-(2-imidazol-1-ylethyl)urea
PubChem CID51081989
Molecular FormulaC15H17N7O3
Molecular Weight343.35 g/mol
Exact Mass343.14
IUPAC Name1-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-3-(2-imidazol-1-ylethyl)urea
SMILESCn1c(=O)c2cc(NC(=O)NCCn3ccnc3)cnc2n(C)c1=O
InChIInChI=1S/C15H17N7O3/c1-20-12-11(13(23)21(2)15(20)25)7-10(8-18-12)19-14(24)17-4-6-22-5-3-16-9-22/h3,5,7-9H,4,6H2,1-2H3,(H2,17,19,24)
InChIKeyLNNOEOQKOKSOHP-UHFFFAOYSA-N
XLogP-0.35
TPSA115.84 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.35
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

1-[4-(1-hydroxyethyl)phenyl]-3-(2-imidazol-1-ylethyl)urea
CID 61461408
N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide
CID 55582809
1-(2-imidazol-1-ylethyl)-3-methylurea
CID 58988197
tert-butyl N-[4-(2-imidazol-1-ylethylcarbamoylamino)phenyl]carbamate
CID 56827057
3-(2-imidazol-1-ylethylcarbamoylamino)pyridine-2-carboxylic acid
CID 104743387
2-hydroxy-5-(2-imidazol-1-ylethylcarbamoylamino)benzoic acid
CID 61461800
2-amino-N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)pentanamide;dihydrochloride
CID 119837912
N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-2-[4-(2-methylpropyl)phenyl]acetamide
CID 134009111
1-(2,5-difluorophenyl)-3-(2-imidazol-1-ylethyl)urea
CID 47032101
4-butoxy-N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)benzamide
CID 134008963
2-imidazol-1-ylethylurea
CID 61061185
3-(3,4-difluorophenyl)-N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)propanamide
CID 55607526

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-3-(2-imidazol-1-ylethyl)urea?
The IUPAC name of 1-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-3-(2-imidazol-1-ylethyl)urea (CID 51081989) is 1-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-3-(2-imidazol-1-ylethyl)urea.
What is the SMILES notation for 1-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-3-(2-imidazol-1-ylethyl)urea?
The canonical SMILES for 1-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-3-(2-imidazol-1-ylethyl)urea is Cn1c(=O)c2cc(NC(=O)NCCn3ccnc3)cnc2n(C)c1=O.
What is the InChIKey of 1-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-3-(2-imidazol-1-ylethyl)urea?
The InChIKey is LNNOEOQKOKSOHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N7O3/c1-20-12-11(13(23)21(2)15(20)25)7-10(8-18-12)19-14(24)17-4-6-22-5-3-16-9-22/h3,5,7-9H,4,6H2,1-2H3,(H2,17,19,24).
What are the key properties of 1-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-3-(2-imidazol-1-ylethyl)urea?
1-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-3-(2-imidazol-1-ylethyl)urea has a molecular weight of 343.35 g/mol, XLogP of -0.35, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-3-(2-imidazol-1-ylethyl)urea is sourced from PubChem (CID 51081989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).