1-ethyl-3-[4-[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]urea

C19H20N8OS — CID 59298952

IUPAC1-ethyl-3-[4-[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]urea
SMILESCCNC(=O)Nc1ccc(Sc2cc3nccn3c(Nc3cc(C)[nH]n3)n2)cc1
InChIInChI=1S/C19H20N8OS/c1-3-20-19(28)22-13-4-6-14(7-5-13)29-17-11-16-21-8-9-27(16)18(24-17)23-15-10-12(2)25-26-15/h4-11H,3H2,1-2H3,(H2,20,22,28)(H2,23,24,25,26)
InChIKeyDAPWKDXWXOUMJX-UHFFFAOYSA-N
MW408.49 g/mol
LogP3.80
Rot. Bonds6

About 1-ethyl-3-[4-[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]urea

1-ethyl-3-[4-[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]urea (PubChem CID 59298952) has the molecular formula C19H20N8OS and a molecular weight of 408.49 g/mol. Its IUPAC name is 1-ethyl-3-[4-[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]urea.

Molecular Properties

Compound Name1-ethyl-3-[4-[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]urea
PubChem CID59298952
Molecular FormulaC19H20N8OS
Molecular Weight408.49 g/mol
Exact Mass408.15
IUPAC Name1-ethyl-3-[4-[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]urea
SMILESCCNC(=O)Nc1ccc(Sc2cc3nccn3c(Nc3cc(C)[nH]n3)n2)cc1
InChIInChI=1S/C19H20N8OS/c1-3-20-19(28)22-13-4-6-14(7-5-13)29-17-11-16-21-8-9-27(16)18(24-17)23-15-10-12(2)25-26-15/h4-11H,3H2,1-2H3,(H2,20,22,28)(H2,23,24,25,26)
InChIKeyDAPWKDXWXOUMJX-UHFFFAOYSA-N
XLogP3.80
TPSA112.03 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.49
LogP ≤ 53.80
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[4-[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]urea?
The IUPAC name of 1-ethyl-3-[4-[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]urea (CID 59298952) is 1-ethyl-3-[4-[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]urea.
What is the SMILES notation for 1-ethyl-3-[4-[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]urea?
The canonical SMILES for 1-ethyl-3-[4-[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]urea is CCNC(=O)Nc1ccc(Sc2cc3nccn3c(Nc3cc(C)[nH]n3)n2)cc1.
What is the InChIKey of 1-ethyl-3-[4-[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]urea?
The InChIKey is DAPWKDXWXOUMJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N8OS/c1-3-20-19(28)22-13-4-6-14(7-5-13)29-17-11-16-21-8-9-27(16)18(24-17)23-15-10-12(2)25-26-15/h4-11H,3H2,1-2H3,(H2,20,22,28)(H2,23,24,25,26).
What are the key properties of 1-ethyl-3-[4-[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]urea?
1-ethyl-3-[4-[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]urea has a molecular weight of 408.49 g/mol, XLogP of 3.80, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[4-[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]urea is sourced from PubChem (CID 59298952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).