2-[(1-ethylpyrazol-4-yl)amino]-4-[(2-fluoro-6-methylphenyl)methylamino]pyrimidine-5-carboxylic acid

C18H19FN6O2 — CID 155011100

IUPAC2-[(1-ethylpyrazol-4-yl)amino]-4-[(2-fluoro-6-methylphenyl)methylamino]pyrimidine-5-carboxylic acid
SMILESCCn1cc(Nc2ncc(C(=O)O)c(NCc3c(C)cccc3F)n2)cn1
InChIInChI=1S/C18H19FN6O2/c1-3-25-10-12(7-22-25)23-18-21-9-14(17(26)27)16(24-18)20-8-13-11(2)5-4-6-15(13)19/h4-7,9-10H,3,8H2,1-2H3,(H,26,27)(H2,20,21,23,24)
InChIKeyRZGDVWVIHTXNBN-UHFFFAOYSA-N
MW370.39 g/mol
LogP3.19
Rot. Bonds7

About 2-[(1-ethylpyrazol-4-yl)amino]-4-[(2-fluoro-6-methylphenyl)methylamino]pyrimidine-5-carboxylic acid

2-[(1-ethylpyrazol-4-yl)amino]-4-[(2-fluoro-6-methylphenyl)methylamino]pyrimidine-5-carboxylic acid (PubChem CID 155011100) has the molecular formula C18H19FN6O2 and a molecular weight of 370.39 g/mol. Its IUPAC name is 2-[(1-ethylpyrazol-4-yl)amino]-4-[(2-fluoro-6-methylphenyl)methylamino]pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-[(1-ethylpyrazol-4-yl)amino]-4-[(2-fluoro-6-methylphenyl)methylamino]pyrimidine-5-carboxylic acid
PubChem CID155011100
Molecular FormulaC18H19FN6O2
Molecular Weight370.39 g/mol
Exact Mass370.16
IUPAC Name2-[(1-ethylpyrazol-4-yl)amino]-4-[(2-fluoro-6-methylphenyl)methylamino]pyrimidine-5-carboxylic acid
SMILESCCn1cc(Nc2ncc(C(=O)O)c(NCc3c(C)cccc3F)n2)cn1
InChIInChI=1S/C18H19FN6O2/c1-3-25-10-12(7-22-25)23-18-21-9-14(17(26)27)16(24-18)20-8-13-11(2)5-4-6-15(13)19/h4-7,9-10H,3,8H2,1-2H3,(H,26,27)(H2,20,21,23,24)
InChIKeyRZGDVWVIHTXNBN-UHFFFAOYSA-N
XLogP3.19
TPSA104.96 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.39
LogP ≤ 53.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(1-ethylpyrazol-4-yl)amino]-4-[(2,3,6-trifluorophenyl)methylamino]pyrimidine-5-carboxamide
CID 165112300
4-[(2,3-dichlorophenyl)methylamino]-2-[(1-ethylpyrazol-4-yl)amino]pyrimidine-5-carboxamide
CID 165112275
N,N-dimethyl-2-[4-[[5-methyl-4-[(2,3,6-trifluorophenyl)methylamino]pyrimidin-2-yl]amino]pyrazol-1-yl]acetamide
CID 90023059
2-[(1-ethylpyrazol-4-yl)amino]-4-[[(2S)-2-phenylpropyl]amino]pyrimidine-5-carboxamide
CID 165112333
2-[(1-ethylpyrazol-4-yl)amino]-4-(1H-indol-3-ylmethylamino)pyrimidine-5-carboxamide
CID 165112332
4-[(2,6-difluorophenyl)methylamino]-2-[[1-(oxan-4-yl)pyrazol-4-yl]amino]pyrimidine-5-carboxamide
CID 154628210
1-[(1-ethylpyrazol-4-yl)amino]isoquinoline-4-carboxylic acid
CID 106766574
2-[(1-ethylpyrazol-4-yl)amino]-4-(2-methoxyethylamino)pyrimidine-5-carboxamide
CID 165112238
2-[(1-ethylpyrazol-4-yl)amino]-4-[2-[3-(trifluoromethyl)phenyl]ethylamino]pyrimidine-5-carboxamide
CID 165112309
N-[(2R)-1-hydroxypropan-2-yl]-2-[4-[[5-methyl-4-[(2,4,6-trifluorophenyl)methylamino]pyrimidin-2-yl]amino]pyrazol-1-yl]acetamide
CID 118130469
2-[(1-ethylpyrazol-4-yl)amino]-4-[(4-hydroxy-3-methoxyphenyl)methylamino]pyrimidine-5-carboxamide
CID 165112296
2-[(1-ethylpyrazol-4-yl)amino]benzoic acid
CID 62231031

Frequently Asked Questions

What is the IUPAC name of 2-[(1-ethylpyrazol-4-yl)amino]-4-[(2-fluoro-6-methylphenyl)methylamino]pyrimidine-5-carboxylic acid?
The IUPAC name of 2-[(1-ethylpyrazol-4-yl)amino]-4-[(2-fluoro-6-methylphenyl)methylamino]pyrimidine-5-carboxylic acid (CID 155011100) is 2-[(1-ethylpyrazol-4-yl)amino]-4-[(2-fluoro-6-methylphenyl)methylamino]pyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-[(1-ethylpyrazol-4-yl)amino]-4-[(2-fluoro-6-methylphenyl)methylamino]pyrimidine-5-carboxylic acid?
The canonical SMILES for 2-[(1-ethylpyrazol-4-yl)amino]-4-[(2-fluoro-6-methylphenyl)methylamino]pyrimidine-5-carboxylic acid is CCn1cc(Nc2ncc(C(=O)O)c(NCc3c(C)cccc3F)n2)cn1.
What is the InChIKey of 2-[(1-ethylpyrazol-4-yl)amino]-4-[(2-fluoro-6-methylphenyl)methylamino]pyrimidine-5-carboxylic acid?
The InChIKey is RZGDVWVIHTXNBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN6O2/c1-3-25-10-12(7-22-25)23-18-21-9-14(17(26)27)16(24-18)20-8-13-11(2)5-4-6-15(13)19/h4-7,9-10H,3,8H2,1-2H3,(H,26,27)(H2,20,21,23,24).
What are the key properties of 2-[(1-ethylpyrazol-4-yl)amino]-4-[(2-fluoro-6-methylphenyl)methylamino]pyrimidine-5-carboxylic acid?
2-[(1-ethylpyrazol-4-yl)amino]-4-[(2-fluoro-6-methylphenyl)methylamino]pyrimidine-5-carboxylic acid has a molecular weight of 370.39 g/mol, XLogP of 3.19, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-ethylpyrazol-4-yl)amino]-4-[(2-fluoro-6-methylphenyl)methylamino]pyrimidine-5-carboxylic acid is sourced from PubChem (CID 155011100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).