4-[(2-fluoro-6-methoxyphenyl)methylamino]-2-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]pyrimidine-5-carboxamide

C19H22FN7O3 — CID 138495172

IUPAC4-[(2-fluoro-6-methoxyphenyl)methylamino]-2-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]pyrimidine-5-carboxamide
SMILESCOCCn1cc(Nc2ncc(C(N)=O)c(NCc3c(F)cccc3OC)n2)cn1
InChIInChI=1S/C19H22FN7O3/c1-29-7-6-27-11-12(8-24-27)25-19-23-10-14(17(21)28)18(26-19)22-9-13-15(20)4-3-5-16(13)30-2/h3-5,8,10-11H,6-7,9H2,1-2H3,(H2,21,28)(H2,22,23,25,26)
InChIKeyMGAVFBKESHUIMR-UHFFFAOYSA-N
MW415.43 g/mol
LogP1.92
Rot. Bonds10

About 4-[(2-fluoro-6-methoxyphenyl)methylamino]-2-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]pyrimidine-5-carboxamide

4-[(2-fluoro-6-methoxyphenyl)methylamino]-2-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]pyrimidine-5-carboxamide (PubChem CID 138495172) has the molecular formula C19H22FN7O3 and a molecular weight of 415.43 g/mol. Its IUPAC name is 4-[(2-fluoro-6-methoxyphenyl)methylamino]-2-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-[(2-fluoro-6-methoxyphenyl)methylamino]-2-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]pyrimidine-5-carboxamide
PubChem CID138495172
Molecular FormulaC19H22FN7O3
Molecular Weight415.43 g/mol
Exact Mass415.18
IUPAC Name4-[(2-fluoro-6-methoxyphenyl)methylamino]-2-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]pyrimidine-5-carboxamide
SMILESCOCCn1cc(Nc2ncc(C(N)=O)c(NCc3c(F)cccc3OC)n2)cn1
InChIInChI=1S/C19H22FN7O3/c1-29-7-6-27-11-12(8-24-27)25-19-23-10-14(17(21)28)18(26-19)22-9-13-15(20)4-3-5-16(13)30-2/h3-5,8,10-11H,6-7,9H2,1-2H3,(H2,21,28)(H2,22,23,25,26)
InChIKeyMGAVFBKESHUIMR-UHFFFAOYSA-N
XLogP1.92
TPSA129.21 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.43
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 4-[(2-fluoro-6-methoxyphenyl)methylamino]-2-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]pyrimidine-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(2-fluoro-6-methoxyphenyl)methylamino]-2-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]pyrimidine-5-carboxamide?
The IUPAC name of 4-[(2-fluoro-6-methoxyphenyl)methylamino]-2-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]pyrimidine-5-carboxamide (CID 138495172) is 4-[(2-fluoro-6-methoxyphenyl)methylamino]-2-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]pyrimidine-5-carboxamide.
What is the SMILES notation for 4-[(2-fluoro-6-methoxyphenyl)methylamino]-2-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]pyrimidine-5-carboxamide?
The canonical SMILES for 4-[(2-fluoro-6-methoxyphenyl)methylamino]-2-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]pyrimidine-5-carboxamide is COCCn1cc(Nc2ncc(C(N)=O)c(NCc3c(F)cccc3OC)n2)cn1.
What is the InChIKey of 4-[(2-fluoro-6-methoxyphenyl)methylamino]-2-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]pyrimidine-5-carboxamide?
The InChIKey is MGAVFBKESHUIMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN7O3/c1-29-7-6-27-11-12(8-24-27)25-19-23-10-14(17(21)28)18(26-19)22-9-13-15(20)4-3-5-16(13)30-2/h3-5,8,10-11H,6-7,9H2,1-2H3,(H2,21,28)(H2,22,23,25,26).
What are the key properties of 4-[(2-fluoro-6-methoxyphenyl)methylamino]-2-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]pyrimidine-5-carboxamide?
4-[(2-fluoro-6-methoxyphenyl)methylamino]-2-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]pyrimidine-5-carboxamide has a molecular weight of 415.43 g/mol, XLogP of 1.92, 10 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-fluoro-6-methoxyphenyl)methylamino]-2-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]pyrimidine-5-carboxamide is sourced from PubChem (CID 138495172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).