1-[3-(3,5-dimethylanilino)pyrido[2,3-b]pyrazin-6-yl]-3-ethylurea

C18H20N6O — CID 58881935

IUPAC1-[3-(3,5-dimethylanilino)pyrido[2,3-b]pyrazin-6-yl]-3-ethylurea
SMILESCCNC(=O)Nc1ccc2ncc(Nc3cc(C)cc(C)c3)nc2n1
InChIInChI=1S/C18H20N6O/c1-4-19-18(25)24-15-6-5-14-17(22-15)23-16(10-20-14)21-13-8-11(2)7-12(3)9-13/h5-10H,4H2,1-3H3,(H3,19,21,22,23,24,25)
InChIKeyDZPMZKTXZSKATK-UHFFFAOYSA-N
MW336.40 g/mol
LogP3.53
Rot. Bonds4

About 1-[3-(3,5-dimethylanilino)pyrido[2,3-b]pyrazin-6-yl]-3-ethylurea

1-[3-(3,5-dimethylanilino)pyrido[2,3-b]pyrazin-6-yl]-3-ethylurea (PubChem CID 58881935) has the molecular formula C18H20N6O and a molecular weight of 336.40 g/mol. Its IUPAC name is 1-[3-(3,5-dimethylanilino)pyrido[2,3-b]pyrazin-6-yl]-3-ethylurea.

Molecular Properties

Compound Name1-[3-(3,5-dimethylanilino)pyrido[2,3-b]pyrazin-6-yl]-3-ethylurea
PubChem CID58881935
Molecular FormulaC18H20N6O
Molecular Weight336.40 g/mol
Exact Mass336.17
IUPAC Name1-[3-(3,5-dimethylanilino)pyrido[2,3-b]pyrazin-6-yl]-3-ethylurea
SMILESCCNC(=O)Nc1ccc2ncc(Nc3cc(C)cc(C)c3)nc2n1
InChIInChI=1S/C18H20N6O/c1-4-19-18(25)24-15-6-5-14-17(22-15)23-16(10-20-14)21-13-8-11(2)7-12(3)9-13/h5-10H,4H2,1-3H3,(H3,19,21,22,23,24,25)
InChIKeyDZPMZKTXZSKATK-UHFFFAOYSA-N
XLogP3.53
TPSA91.83 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 53.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(3,5-dimethylanilino)pyrido[2,3-b]pyrazin-6-yl]-3-ethylurea?
The IUPAC name of 1-[3-(3,5-dimethylanilino)pyrido[2,3-b]pyrazin-6-yl]-3-ethylurea (CID 58881935) is 1-[3-(3,5-dimethylanilino)pyrido[2,3-b]pyrazin-6-yl]-3-ethylurea.
What is the SMILES notation for 1-[3-(3,5-dimethylanilino)pyrido[2,3-b]pyrazin-6-yl]-3-ethylurea?
The canonical SMILES for 1-[3-(3,5-dimethylanilino)pyrido[2,3-b]pyrazin-6-yl]-3-ethylurea is CCNC(=O)Nc1ccc2ncc(Nc3cc(C)cc(C)c3)nc2n1.
What is the InChIKey of 1-[3-(3,5-dimethylanilino)pyrido[2,3-b]pyrazin-6-yl]-3-ethylurea?
The InChIKey is DZPMZKTXZSKATK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O/c1-4-19-18(25)24-15-6-5-14-17(22-15)23-16(10-20-14)21-13-8-11(2)7-12(3)9-13/h5-10H,4H2,1-3H3,(H3,19,21,22,23,24,25).
What are the key properties of 1-[3-(3,5-dimethylanilino)pyrido[2,3-b]pyrazin-6-yl]-3-ethylurea?
1-[3-(3,5-dimethylanilino)pyrido[2,3-b]pyrazin-6-yl]-3-ethylurea has a molecular weight of 336.40 g/mol, XLogP of 3.53, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3,5-dimethylanilino)pyrido[2,3-b]pyrazin-6-yl]-3-ethylurea is sourced from PubChem (CID 58881935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).