methyl 6-amino-5-chloro-2-(7-fluoro-1H-indol-6-yl)pyrimidine-4-carboxylate

C14H10ClFN4O2 — CID 90451006

IUPACmethyl 6-amino-5-chloro-2-(7-fluoro-1H-indol-6-yl)pyrimidine-4-carboxylate
SMILESCOC(=O)c1nc(-c2ccc3cc[nH]c3c2F)nc(N)c1Cl
InChIInChI=1S/C14H10ClFN4O2/c1-22-14(21)11-8(15)12(17)20-13(19-11)7-3-2-6-4-5-18-10(6)9(7)16/h2-5,18H,1H3,(H2,17,19,20)
InChIKeyLHRQHUOSMDNTFF-UHFFFAOYSA-N
MW320.71 g/mol
LogP2.79
Rot. Bonds2

About methyl 6-amino-5-chloro-2-(7-fluoro-1H-indol-6-yl)pyrimidine-4-carboxylate

methyl 6-amino-5-chloro-2-(7-fluoro-1H-indol-6-yl)pyrimidine-4-carboxylate (PubChem CID 90451006) has the molecular formula C14H10ClFN4O2 and a molecular weight of 320.71 g/mol. Its IUPAC name is methyl 6-amino-5-chloro-2-(7-fluoro-1H-indol-6-yl)pyrimidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 6-amino-5-chloro-2-(7-fluoro-1H-indol-6-yl)pyrimidine-4-carboxylate
PubChem CID90451006
Molecular FormulaC14H10ClFN4O2
Molecular Weight320.71 g/mol
Exact Mass320.05
IUPAC Namemethyl 6-amino-5-chloro-2-(7-fluoro-1H-indol-6-yl)pyrimidine-4-carboxylate
SMILESCOC(=O)c1nc(-c2ccc3cc[nH]c3c2F)nc(N)c1Cl
InChIInChI=1S/C14H10ClFN4O2/c1-22-14(21)11-8(15)12(17)20-13(19-11)7-3-2-6-4-5-18-10(6)9(7)16/h2-5,18H,1H3,(H2,17,19,20)
InChIKeyLHRQHUOSMDNTFF-UHFFFAOYSA-N
XLogP2.79
TPSA93.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.71
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 6-amino-5-chloro-2-(7-fluoro-1H-indol-6-yl)pyrimidine-4-carboxylate?
The IUPAC name of methyl 6-amino-5-chloro-2-(7-fluoro-1H-indol-6-yl)pyrimidine-4-carboxylate (CID 90451006) is methyl 6-amino-5-chloro-2-(7-fluoro-1H-indol-6-yl)pyrimidine-4-carboxylate.
What is the SMILES notation for methyl 6-amino-5-chloro-2-(7-fluoro-1H-indol-6-yl)pyrimidine-4-carboxylate?
The canonical SMILES for methyl 6-amino-5-chloro-2-(7-fluoro-1H-indol-6-yl)pyrimidine-4-carboxylate is COC(=O)c1nc(-c2ccc3cc[nH]c3c2F)nc(N)c1Cl.
What is the InChIKey of methyl 6-amino-5-chloro-2-(7-fluoro-1H-indol-6-yl)pyrimidine-4-carboxylate?
The InChIKey is LHRQHUOSMDNTFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClFN4O2/c1-22-14(21)11-8(15)12(17)20-13(19-11)7-3-2-6-4-5-18-10(6)9(7)16/h2-5,18H,1H3,(H2,17,19,20).
What are the key properties of methyl 6-amino-5-chloro-2-(7-fluoro-1H-indol-6-yl)pyrimidine-4-carboxylate?
methyl 6-amino-5-chloro-2-(7-fluoro-1H-indol-6-yl)pyrimidine-4-carboxylate has a molecular weight of 320.71 g/mol, XLogP of 2.79, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-amino-5-chloro-2-(7-fluoro-1H-indol-6-yl)pyrimidine-4-carboxylate is sourced from PubChem (CID 90451006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).