5-cyclopropyl-N-(ethoxymethyl)-2-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]pyrimidin-4-amine

C20H22FN5O — CID 90991851

IUPAC5-cyclopropyl-N-(ethoxymethyl)-2-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]pyrimidin-4-amine
SMILESCCOCNc1nc(-c2ccn(Cc3ccccc3F)n2)ncc1C1CC1
InChIInChI=1S/C20H22FN5O/c1-2-27-13-23-19-16(14-7-8-14)11-22-20(24-19)18-9-10-26(25-18)12-15-5-3-4-6-17(15)21/h3-6,9-11,14H,2,7-8,12-13H2,1H3,(H,22,23,24)
InChIKeyUSSLWEOLBRNKCN-UHFFFAOYSA-N
MW367.43 g/mol
LogP3.81
Rot. Bonds8

About 5-cyclopropyl-N-(ethoxymethyl)-2-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]pyrimidin-4-amine

5-cyclopropyl-N-(ethoxymethyl)-2-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]pyrimidin-4-amine (PubChem CID 90991851) has the molecular formula C20H22FN5O and a molecular weight of 367.43 g/mol. Its IUPAC name is 5-cyclopropyl-N-(ethoxymethyl)-2-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name5-cyclopropyl-N-(ethoxymethyl)-2-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]pyrimidin-4-amine
PubChem CID90991851
Molecular FormulaC20H22FN5O
Molecular Weight367.43 g/mol
Exact Mass367.18
IUPAC Name5-cyclopropyl-N-(ethoxymethyl)-2-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]pyrimidin-4-amine
SMILESCCOCNc1nc(-c2ccn(Cc3ccccc3F)n2)ncc1C1CC1
InChIInChI=1S/C20H22FN5O/c1-2-27-13-23-19-16(14-7-8-14)11-22-20(24-19)18-9-10-26(25-18)12-15-5-3-4-6-17(15)21/h3-6,9-11,14H,2,7-8,12-13H2,1H3,(H,22,23,24)
InChIKeyUSSLWEOLBRNKCN-UHFFFAOYSA-N
XLogP3.81
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

5-ethyl-2-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-4-methylsulfinylpyrimidine
CID 90722088
4-(4,5-dihydro-1H-imidazol-2-yl)-5-ethyl-2-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]pyrimidine
CID 91149613
2-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-5-methylsulfonylpyrimidin-4-amine
CID 91337023
4-chloro-5-fluoro-2-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-6-methoxypyrimidine
CID 141427956
2-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-4,5,5-trimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one
CID 118969741
N-benzyl-5-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-4-methyl-1,3-thiazol-2-amine
CID 42210415
2-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-4-methoxy-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one
CID 118969658
5-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-N-[(2-methoxyphenyl)methyl]-4-methyl-1,3-thiazol-2-amine
CID 26338246
2-[[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-methylpyrazol-3-yl]pyrimidin-4-yl]amino]propane-1,3-diol
CID 90446035
N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-5-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-4-methyl-1,3-thiazol-2-amine
CID 126467628
N-butyl-5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(2H-pyrrol-5-yl)pyrazol-3-yl]pyrimidin-4-amine
CID 145046937
1-[(2-fluorophenyl)methyl]-3-(trifluoromethyl)pyrazole
CID 52751123

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-(ethoxymethyl)-2-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]pyrimidin-4-amine?
The IUPAC name of 5-cyclopropyl-N-(ethoxymethyl)-2-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]pyrimidin-4-amine (CID 90991851) is 5-cyclopropyl-N-(ethoxymethyl)-2-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]pyrimidin-4-amine.
What is the SMILES notation for 5-cyclopropyl-N-(ethoxymethyl)-2-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]pyrimidin-4-amine?
The canonical SMILES for 5-cyclopropyl-N-(ethoxymethyl)-2-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]pyrimidin-4-amine is CCOCNc1nc(-c2ccn(Cc3ccccc3F)n2)ncc1C1CC1.
What is the InChIKey of 5-cyclopropyl-N-(ethoxymethyl)-2-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]pyrimidin-4-amine?
The InChIKey is USSLWEOLBRNKCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN5O/c1-2-27-13-23-19-16(14-7-8-14)11-22-20(24-19)18-9-10-26(25-18)12-15-5-3-4-6-17(15)21/h3-6,9-11,14H,2,7-8,12-13H2,1H3,(H,22,23,24).
What are the key properties of 5-cyclopropyl-N-(ethoxymethyl)-2-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]pyrimidin-4-amine?
5-cyclopropyl-N-(ethoxymethyl)-2-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]pyrimidin-4-amine has a molecular weight of 367.43 g/mol, XLogP of 3.81, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-(ethoxymethyl)-2-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]pyrimidin-4-amine is sourced from PubChem (CID 90991851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).