1-[6-[4-(2-aminopropan-2-yl)anilino]pyrido[2,3-b]pyrazin-3-yl]-3-ethylthiourea

C19H23N7S — CID 89224557

IUPAC1-[6-[4-(2-aminopropan-2-yl)anilino]pyrido[2,3-b]pyrazin-3-yl]-3-ethylthiourea
SMILESCCNC(=S)Nc1cnc2ccc(Nc3ccc(C(C)(C)N)cc3)nc2n1
InChIInChI=1S/C19H23N7S/c1-4-21-18(27)26-16-11-22-14-9-10-15(24-17(14)25-16)23-13-7-5-12(6-8-13)19(2,3)20/h5-11H,4,20H2,1-3H3,(H3,21,23,24,25,26,27)
InChIKeyURMNVBILHRMZAP-UHFFFAOYSA-N
MW381.51 g/mol
LogP3.27
Rot. Bonds5

About 1-[6-[4-(2-aminopropan-2-yl)anilino]pyrido[2,3-b]pyrazin-3-yl]-3-ethylthiourea

1-[6-[4-(2-aminopropan-2-yl)anilino]pyrido[2,3-b]pyrazin-3-yl]-3-ethylthiourea (PubChem CID 89224557) has the molecular formula C19H23N7S and a molecular weight of 381.51 g/mol. Its IUPAC name is 1-[6-[4-(2-aminopropan-2-yl)anilino]pyrido[2,3-b]pyrazin-3-yl]-3-ethylthiourea.

Molecular Properties

Compound Name1-[6-[4-(2-aminopropan-2-yl)anilino]pyrido[2,3-b]pyrazin-3-yl]-3-ethylthiourea
PubChem CID89224557
Molecular FormulaC19H23N7S
Molecular Weight381.51 g/mol
Exact Mass381.17
IUPAC Name1-[6-[4-(2-aminopropan-2-yl)anilino]pyrido[2,3-b]pyrazin-3-yl]-3-ethylthiourea
SMILESCCNC(=S)Nc1cnc2ccc(Nc3ccc(C(C)(C)N)cc3)nc2n1
InChIInChI=1S/C19H23N7S/c1-4-21-18(27)26-16-11-22-14-9-10-15(24-17(14)25-16)23-13-7-5-12(6-8-13)19(2,3)20/h5-11H,4,20H2,1-3H3,(H3,21,23,24,25,26,27)
InChIKeyURMNVBILHRMZAP-UHFFFAOYSA-N
XLogP3.27
TPSA100.78 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.51
LogP ≤ 53.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

Miransertib
CID 53262401
SB-525334
CID 9967941
Sri-9439
CID 446752
6-Amino-4-[(3-methylphenyl)amino]pyrido[3,4-d]pyrimidine
CID 5328375
6-N-methyl-4-N-(3-methylphenyl)pyrido[3,4-d]pyrimidine-4,6-diamine
CID 5328376
[N-(2,4-Diaminopteridin-6-YL)-methyl]-dibenz[B,F]azepine
CID 446744
4-Anilino quinazoline deriv. 18
CID 5328017
N-(4-methylphenyl)-4-quinolin-4-ylpyrimidin-2-amine
CID 44820374
2,3-Diphenylpyrido[2,3-b]pyrazine
CID 817566
Eapb-0203
CID 24779760
4-Pteridinamine, 7-(4-(dimethylamino)phenyl)-
CID 3056069
6-N,6-N-dimethyl-4-N-(3-methylphenyl)pyrido[3,4-d]pyrimidine-4,6-diamine
CID 5328377

Frequently Asked Questions

What is the IUPAC name of 1-[6-[4-(2-aminopropan-2-yl)anilino]pyrido[2,3-b]pyrazin-3-yl]-3-ethylthiourea?
The IUPAC name of 1-[6-[4-(2-aminopropan-2-yl)anilino]pyrido[2,3-b]pyrazin-3-yl]-3-ethylthiourea (CID 89224557) is 1-[6-[4-(2-aminopropan-2-yl)anilino]pyrido[2,3-b]pyrazin-3-yl]-3-ethylthiourea.
What is the SMILES notation for 1-[6-[4-(2-aminopropan-2-yl)anilino]pyrido[2,3-b]pyrazin-3-yl]-3-ethylthiourea?
The canonical SMILES for 1-[6-[4-(2-aminopropan-2-yl)anilino]pyrido[2,3-b]pyrazin-3-yl]-3-ethylthiourea is CCNC(=S)Nc1cnc2ccc(Nc3ccc(C(C)(C)N)cc3)nc2n1.
What is the InChIKey of 1-[6-[4-(2-aminopropan-2-yl)anilino]pyrido[2,3-b]pyrazin-3-yl]-3-ethylthiourea?
The InChIKey is URMNVBILHRMZAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N7S/c1-4-21-18(27)26-16-11-22-14-9-10-15(24-17(14)25-16)23-13-7-5-12(6-8-13)19(2,3)20/h5-11H,4,20H2,1-3H3,(H3,21,23,24,25,26,27).
What are the key properties of 1-[6-[4-(2-aminopropan-2-yl)anilino]pyrido[2,3-b]pyrazin-3-yl]-3-ethylthiourea?
1-[6-[4-(2-aminopropan-2-yl)anilino]pyrido[2,3-b]pyrazin-3-yl]-3-ethylthiourea has a molecular weight of 381.51 g/mol, XLogP of 3.27, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[4-(2-aminopropan-2-yl)anilino]pyrido[2,3-b]pyrazin-3-yl]-3-ethylthiourea is sourced from PubChem (CID 89224557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).