CID 89205025

C18H17FN5OS- — CID 89205025

IUPAC—
SMILES[H]/N=[S-](=O)/c1ccc(Nc2ncc(-c3ccc(F)c(C)c3)c(NC)n2)cc1
InChIInChI=1S/C18H17FN5OS/c1-11-9-12(3-8-16(11)19)15-10-22-18(24-17(15)21-2)23-13-4-6-14(7-5-13)26(20)25/h3-10,20H,1-2H3,(H2,21,22,23,24)/q-1
InChIKeyDNINGOBCILNCJL-UHFFFAOYSA-N
MW370.43 g/mol
LogP4.46
Rot. Bonds5

About CID 89205025

CID 89205025 (PubChem CID 89205025) has the molecular formula C18H17FN5OS- and a molecular weight of 370.43 g/mol.

Molecular Properties

Compound NameCID 89205025
PubChem CID89205025
Molecular FormulaC18H17FN5OS-
Molecular Weight370.43 g/mol
Exact Mass370.11
IUPAC Name—
SMILES[H]/N=[S-](=O)/c1ccc(Nc2ncc(-c3ccc(F)c(C)c3)c(NC)n2)cc1
InChIInChI=1S/C18H17FN5OS/c1-11-9-12(3-8-16(11)19)15-10-22-18(24-17(15)21-2)23-13-4-6-14(7-5-13)26(20)25/h3-10,20H,1-2H3,(H2,21,22,23,24)/q-1
InChIKeyDNINGOBCILNCJL-UHFFFAOYSA-N
XLogP4.46
TPSA90.76 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 54.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Related Compounds

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5-fluoro-4-N-[3-(methylamino)-4-(2-methylbutan-2-yl)phenyl]-2-N-(4-methylphenyl)pyrimidine-2,4-diamine
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6-(4-fluoro-3-methylphenyl)-N,3-dimethyl-1,2,4-triazin-5-amine
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CID 89325166
CID 89325272
CID 89325272
N-[4-fluoro-3-[[2-[(1-methylpyrazol-4-yl)amino]-5-[3-methyl-4-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]phenyl]prop-2-enamide
CID 163281419
2-N-(4-amino-3-methylphenyl)-4-N-(4-chlorophenyl)-5-fluoropyrimidine-2,4-diamine
CID 142899048
5-fluoro-4-N-(4-iodophenyl)-2-N-methylpyrimidine-2,4-diamine
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2-cyclopropyl-6-(4-fluoro-3-methylphenyl)-N,5-dimethylpyrimidin-4-amine
CID 80975820

Frequently Asked Questions

What is the IUPAC name of CID 89205025?
The IUPAC name of CID 89205025 (CID 89205025) is not available.
What is the SMILES notation for CID 89205025?
The canonical SMILES for CID 89205025 is [H]/N=[S-](=O)/c1ccc(Nc2ncc(-c3ccc(F)c(C)c3)c(NC)n2)cc1.
What is the InChIKey of CID 89205025?
The InChIKey is DNINGOBCILNCJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN5OS/c1-11-9-12(3-8-16(11)19)15-10-22-18(24-17(15)21-2)23-13-4-6-14(7-5-13)26(20)25/h3-10,20H,1-2H3,(H2,21,22,23,24)/q-1.
What are the key properties of CID 89205025?
CID 89205025 has a molecular weight of 370.43 g/mol, XLogP of 4.46, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for CID 89205025 is sourced from PubChem (CID 89205025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).